3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid

C11H14N2O4 — CID 81088494

IUPAC3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
SMILESCOCC(N)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-17-6-9(12)10(14)13-8-4-2-3-7(5-8)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPHONOIXUSBAMI-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.30
Rot. Bonds5

About 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid

3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid (PubChem CID 81088494) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
PubChem CID81088494
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
SMILESCOCC(N)C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C11H14N2O4/c1-17-6-9(12)10(14)13-8-4-2-3-7(5-8)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyKPHONOIXUSBAMI-UHFFFAOYSA-N
XLogP0.30
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
methyl 3-[(2-amino-4-methoxybutanoyl)amino]benzoate
CID 62475767
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]benzoic acid
CID 61156933
3-[2-[(2-amino-3-methoxypropanoyl)amino]ethyl]benzoic acid
CID 81088349
3-amino-4-(3-methoxycarbonylanilino)-4-oxobutanoic acid
CID 64894583
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
4-[(2-amino-3-methoxypropanoyl)amino]-3-chlorobenzoic acid
CID 81089429
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
3-[[(2R)-2-amino-3-(phenylmethoxycarbonylamino)propanoyl]amino]benzoic acid
CID 100966642

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid?
The IUPAC name of 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid (CID 81088494) is 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid is COCC(N)C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid?
The InChIKey is KPHONOIXUSBAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-6-9(12)10(14)13-8-4-2-3-7(5-8)11(15)16/h2-5,9H,6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid?
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid is sourced from PubChem (CID 81088494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).