(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide

C12H16N2O3 — CID 174682682

IUPAC(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-8(15)11(13)12(17)14-10(16)7-9-5-3-2-4-6-9/h2-6,8,11,15H,7,13H2,1H3,(H,14,16,17)/t8-,11+/m1/s1
InChIKeyTZTJQTUYOSRXKD-KCJUWKMLSA-N
MW236.27 g/mol
LogP-0.42
Rot. Bonds4

About (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide

(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide (PubChem CID 174682682) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
PubChem CID174682682
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
SMILESC[C@@H](O)[C@H](N)C(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-8(15)11(13)12(17)14-10(16)7-9-5-3-2-4-6-9/h2-6,8,11,15H,7,13H2,1H3,(H,14,16,17)/t8-,11+/m1/s1
InChIKeyTZTJQTUYOSRXKD-KCJUWKMLSA-N
XLogP-0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
acetic acid;(3S)-3-amino-4-oxo-4-[(2-phenylacetyl)amino]butanoic acid
CID 18653902
(3R)-2-amino-3-hydroxy-N-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoylcarbamoyl]butanamide
CID 118478029
N-(2-methylpropanethioyl)-2-phenylacetamide
CID 134493410
N-[2-(3-hydroxybutan-2-ylsulfanyl)acetyl]-2-phenylacetamide
CID 103705558
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060
benzyl (2S,3S)-2-amino-3-hydroxybutanoate;hydrochloride
CID 119032008
2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoic acid
CID 19940370
2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]butanedioic acid
CID 18224426

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide (CID 174682682) is (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide is C[C@@H](O)[C@H](N)C(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide?
The InChIKey is TZTJQTUYOSRXKD-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)11(13)12(17)14-10(16)7-9-5-3-2-4-6-9/h2-6,8,11,15H,7,13H2,1H3,(H,14,16,17)/t8-,11+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide?
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide has a molecular weight of 236.27 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide is sourced from PubChem (CID 174682682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).