(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid

C13H17NO5 — CID 166706316

IUPAC(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid
SMILESO=C(CN[C@@H](CCO)C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c15-7-6-11(13(17)18)14-8-12(16)19-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,17,18)/t11-/m0/s1
InChIKeyOZFSKWQIAQLVES-NSHDSACASA-N
MW267.28 g/mol
LogP0.16
Rot. Bonds8

About (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid

(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid (PubChem CID 166706316) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid
PubChem CID166706316
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid
SMILESO=C(CN[C@@H](CCO)C(=O)O)OCc1ccccc1
InChIInChI=1S/C13H17NO5/c15-7-6-11(13(17)18)14-8-12(16)19-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,17,18)/t11-/m0/s1
InChIKeyOZFSKWQIAQLVES-NSHDSACASA-N
XLogP0.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]amino]acetate
CID 54238279
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410
(2R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(2-oxo-2-phenylmethoxyethyl)amino]hexanoic acid
CID 155064968
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]-4-hydroxybutanoic acid
CID 107825099
benzyl (2S)-4-hydroxy-2-(propylamino)butanoate;hydrochloride
CID 172732914
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005
(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 174272208
methyl 3-methyl-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoate
CID 22910332
benzyl (2S)-4-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 18639965
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
(2S)-2-(benzylsulfonylamino)-4-hydroxybutanoic acid
CID 104934956
2-[[(2S)-1,4-dioxo-1,4-bis(phenylmethoxy)butan-2-yl]amino]propanoic acid
CID 67659703

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid (CID 166706316) is (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid is O=C(CN[C@@H](CCO)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid?
The InChIKey is OZFSKWQIAQLVES-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO5/c15-7-6-11(13(17)18)14-8-12(16)19-9-10-4-2-1-3-5-10/h1-5,11,14-15H,6-9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid?
(2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[(2-oxo-2-phenylmethoxyethyl)amino]butanoic acid is sourced from PubChem (CID 166706316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).