5-Oxo-proline butyl ester

CAT: 0926-LCA45021-01Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-LCA45021-01Size:1000 mg

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CAS Number

61450-21-3

Smiles

CCCCOC (=O) C1CCC (=O) N1

Molecular Formula

C9H15NO3

Molecular Weight

185.22 g/mol

Controlled

Chemical Information

Butyl 5-oxopyrrolidine-2-carboxylate

CAS Number	61450-21-3
PubChem CID	4460732
IUPAC Name	butyl 5-oxopyrrolidine-2-carboxylate
Molecular Formula	C9H15NO3
Molecular Weight	185.22
XLogP	0.8
Topological Polar Surface Area	55.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	203

SMILES

CCCCOC(=O)C1CCC(=O)N1

InChI

InChI=1S/C9H15NO3/c1-2-3-6-13-9(12)7-4-5-8(11)10-7/h7H,2-6H2,1H3,(H,10,11)

InChIKey

QBBAJUQOYIURHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 61450-21-3

CID: 4460732

Formula: C9H15NO3

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	185.10519334
Monoisotopic Mass	185.10519334
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FP47582-01	L-Proline tert-butyl ester
FA17254-01	L-Alanyl-L-proline tert-butyl ester
FB18896-01	(2S) -1-Boc-4-oxo-proline methyl ester
JDC48563-01	(1-Methyl-2-oxo-butyl) -carbamic acid tert-butyl ester
VXC64893-01	Tert-Butyl 4-oxo-5-phenylpentanoate
FC20624	(5R) -6-Cyano-5-hydroxy-3-oxo-hexanoic acid tert-butyl ester
IWC33001-01	Tert-Butyl 5-oxo-decahydroisoquinoline-2-carboxylate
FF23335	Fluocortin butyl ester
XGB03832-01	4-Oxo-Tetrahydro-Furan-3-Carboxylic Acid Tert-Butyl Ester
CQA73129-01	5-tert-Butyl-isophthalic acid monomethyl ester

Catalog	Name
437036-01	5-Oxo-proline Butyl Ester
409739-01	1-Ethyl-5-oxo-proline Butyl Ester
265614-01	Boc-4-oxo-L-proline tert-butyl ester
437023	5-Oxo Atorvastatin tert-Butyl Ester
236033-01	Boc-4-oxo-L-proline tert-butyl ester ≥97%
sc-269763	N-Boc-4-oxo-L-proline tert-butyl ester
237235-01	D-Proline tert-butyl ester
sc-295324	L-Proline t-butyl ester
453405-01	L-Proline tert-Butyl Ester
sc-294255	D-Proline t-butyl ester