(2S)-2-[benzoyl(methoxy)amino]propanoic acid

C11H13NO4 — CID 87436578

IUPAC(2S)-2-[benzoyl(methoxy)amino]propanoic acid
SMILESCON(C(=O)c1ccccc1)[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO4/c1-8(11(14)15)12(16-2)10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyAPAZHLOKLBSFEQ-QMMMGPOBSA-N
MW223.23 g/mol
LogP1.16
Rot. Bonds4

About (2S)-2-[benzoyl(methoxy)amino]propanoic acid

(2S)-2-[benzoyl(methoxy)amino]propanoic acid (PubChem CID 87436578) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-[benzoyl(methoxy)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[benzoyl(methoxy)amino]propanoic acid
PubChem CID87436578
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-[benzoyl(methoxy)amino]propanoic acid
SMILESCON(C(=O)c1ccccc1)[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO4/c1-8(11(14)15)12(16-2)10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyAPAZHLOKLBSFEQ-QMMMGPOBSA-N
XLogP1.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-[1-(2,4,6-trimethylphenyl)propan-2-yl]benzamide
CID 170043652
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
(2S)-2-(N-methoxyanilino)propanoic acid
CID 54118972
2-[benzoyl(2-carboxyethyl)amino]propanoic acid
CID 82324506
2-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 62627453
N-methyl-N-propan-2-yloxybenzamide
CID 89406419
(2R)-2-[benzoyloxycarbonyl(methyl)amino]propanoic acid
CID 87701580
[methoxy(sulfino)carbamoyl]benzene
CID 57215850
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
CID 161381447
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzoyl(methoxy)amino]propanoic acid?
The IUPAC name of (2S)-2-[benzoyl(methoxy)amino]propanoic acid (CID 87436578) is (2S)-2-[benzoyl(methoxy)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[benzoyl(methoxy)amino]propanoic acid?
The canonical SMILES for (2S)-2-[benzoyl(methoxy)amino]propanoic acid is CON(C(=O)c1ccccc1)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[benzoyl(methoxy)amino]propanoic acid?
The InChIKey is APAZHLOKLBSFEQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(11(14)15)12(16-2)10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[benzoyl(methoxy)amino]propanoic acid?
(2S)-2-[benzoyl(methoxy)amino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzoyl(methoxy)amino]propanoic acid is sourced from PubChem (CID 87436578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).