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CAS Number

96099-84-2

Synonyms

Methyl (2S,3S) -3-hydroxy-2-[ (2-methylpropan-2-yl) oxycarbonylamino]butanoate

MDL Number

MFCD01073763

Purity

98%

Smiles

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O

Chemical Information

(2R,3S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoate

CAS Number	96099-84-2
PubChem CID	40501164
IUPAC Name	methyl (2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Molecular Formula	C10H19NO5
Molecular Weight	233.26
XLogP	0.6
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	258

SMILES

C[C@@H]([C@H](C(=O)OC)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m0/s1

InChIKey

MZMWAPNVRMDIPS-NKWVEPMBSA-N

Chemical Structure

2D Structure

CAS: 96099-84-2

CID: 40501164

Formula: C10H19NO5

MW: 233.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.26
XLogP3	0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	233.12632271
Monoisotopic Mass	233.12632271
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes