2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid

C16H15NO4 — CID 140983421

IUPAC2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
SMILESNc1cc(C(=O)OCc2ccccc2)ccc1CC(=O)O
InChIInChI=1S/C16H15NO4/c17-14-8-13(7-6-12(14)9-15(18)19)16(20)21-10-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYJVXMFZTFFIOQR-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid

2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid (PubChem CID 140983421) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
PubChem CID140983421
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid
SMILESNc1cc(C(=O)OCc2ccccc2)ccc1CC(=O)O
InChIInChI=1S/C16H15NO4/c17-14-8-13(7-6-12(14)9-15(18)19)16(20)21-10-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19)
InChIKeyYJVXMFZTFFIOQR-UHFFFAOYSA-N
XLogP2.25
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

dibenzyl 4-aminobenzene-1,3-dicarboxylate
CID 166736545
benzyl 3-amino-4-hydrazinylbenzoate
CID 67596357
benzyl benzoate;2-phenylacetic acid
CID 70386781
benzyl benzoate
CID 2345
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3-aminobenzoate;methanol
CID 142867139
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465
benzyl 3-amino-4-piperazin-1-ylbenzoate
CID 174469853
benzyl 4-acetylbenzoate
CID 590101
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid (CID 140983421) is 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid is Nc1cc(C(=O)OCc2ccccc2)ccc1CC(=O)O.
What is the InChIKey of 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid?
The InChIKey is YJVXMFZTFFIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c17-14-8-13(7-6-12(14)9-15(18)19)16(20)21-10-11-4-2-1-3-5-11/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid?
2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-phenylmethoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 140983421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).