Z-L-Pyroglutamic Acid

CAT: 0127-OR1015455-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1015455-01Size:5 g

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CAS Number

32159-21-0

MDL Number

MFCD00432332

Purity

98%

Smiles

OC(=O)[C@@H]1CCC(=O)N1C(=O)OCc2ccccc2

Chemical Information

1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

CAS Number	32159-21-0
PubChem CID	637648
IUPAC Name	(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Molecular Formula	C13H13NO5
Molecular Weight	263.25
XLogP	1.1
Topological Polar Surface Area	83.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	375

SMILES

C1CC(=O)N([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1

InChIKey

VHSFUGXCSGOKJX-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 32159-21-0

CID: 637648

Formula: C13H13NO5

MW: 263.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.25
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	263.07937252
Monoisotopic Mass	263.07937252
Topological Polar Surface Area	83.9 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	375
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP19618-01	L-Pyroglutamic acid
BUP15455-01	Ertugliflozin L-pyroglutamic acid
BIB6266-01	L-Pyroglutamic acid beta-naphthylamide
OR471630-01	Boc-L-Pyroglutamic acid Benzyl ester
OR350322-01	DL-Pyroglutamic acid
BIB1445-01	L-Pyroglutamic acid 7-amido-4-methylcoumarin
OR350516-01	N-Boc-L-pyroglutamic Acid Ethyl Ester
BUP18920	DL-Pyroglutamic acid
OR310605-01	(D) -Pyroglutamic acid methyl ester
BUP06143-01	(Z) -Aconitic acid

Catalog	Name
sc-476591	Z-L-pyroglutamic acid
sc-471777	Z-L-pyroglutamic acid dicyclohexylammonium salt
242829-01	Z-L-pyroglutamic acid 99+% (HPLC)
sc-296821A	Z-L-pyroglutamic acid N-hydroxysuccinimide ester
287760-01	Z-L-pyroglutamic acid 4-nitrophenyl ester
287759-01	Z-D-pyroglutamic acid
T0507	L-Pyroglutamic acid
516010	L‐PYROGLUTAMIC ACID