(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid

C18H19NO5 — CID 54368898

IUPAC(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO5/c1-12(20)16(18(22)23)19-17(21)14-9-5-6-10-15(14)24-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)(H,22,23)/t12-,16+/m1/s1
InChIKeyURTDGHWNBYTOOS-WBMJQRKESA-N
MW329.35 g/mol
LogP1.83
Rot. Bonds7

About (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid (PubChem CID 54368898) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
PubChem CID54368898
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO5/c1-12(20)16(18(22)23)19-17(21)14-9-5-6-10-15(14)24-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)(H,22,23)/t12-,16+/m1/s1
InChIKeyURTDGHWNBYTOOS-WBMJQRKESA-N
XLogP1.83
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoate
CID 70238242
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenylmethoxybenzamide
CID 28566302
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid (CID 54368898) is (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid is C[C@@H](O)[C@H](NC(=O)c1ccccc1OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid?
The InChIKey is URTDGHWNBYTOOS-WBMJQRKESA-N. The full InChI is InChI=1S/C18H19NO5/c1-12(20)16(18(22)23)19-17(21)14-9-5-6-10-15(14)24-11-13-7-3-2-4-8-13/h2-10,12,16,20H,11H2,1H3,(H,19,21)(H,22,23)/t12-,16+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid has a molecular weight of 329.35 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-[(2-phenylmethoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 54368898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).