benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate

C12H16N2O4 — CID 67860655

IUPACbenzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
SMILESCC(O)[C@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-8(15)10(13)11(16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7,13H2,1H3,(H,14,16,17)/t8?,10-/m0/s1
InChIKeyWMLGGPGLQQDOTQ-HTLJXXAVSA-N
MW252.27 g/mol
LogP0.15
Rot. Bonds4

About benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate

benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate (PubChem CID 67860655) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
PubChem CID67860655
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namebenzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
SMILESCC(O)[C@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-8(15)10(13)11(16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7,13H2,1H3,(H,14,16,17)/t8?,10-/m0/s1
InChIKeyWMLGGPGLQQDOTQ-HTLJXXAVSA-N
XLogP0.15
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
benzyl N-(2-cyclohexyl-3-hydroxybutanoyl)carbamate
CID 174482515
benzyl N-[(2S)-2-[7-[[(2S)-1-oxo-1-(phenylmethoxycarbonylamino)propan-2-yl]amino]heptylamino]propanoyl]carbamate
CID 123365033
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
(2R,3R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 124542605
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate (CID 67860655) is benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate is CC(O)[C@H](N)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate?
The InChIKey is WMLGGPGLQQDOTQ-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(15)10(13)11(16)14-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,15H,7,13H2,1H3,(H,14,16,17)/t8?,10-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate?
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate is sourced from PubChem (CID 67860655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).