2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid

C13H15NO4 — CID 63689483

IUPAC2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C=O)C2CC2)c1
InChIInChI=1S/C13H15NO4/c1-18-11-4-2-3-9(7-11)12(13(16)17)14(8-15)10-5-6-10/h2-4,7-8,10,12H,5-6H2,1H3,(H,16,17)
InChIKeyMBFRNVSMQGJUEN-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.44
Rot. Bonds6

About 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid

2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid (PubChem CID 63689483) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
PubChem CID63689483
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C=O)C2CC2)c1
InChIInChI=1S/C13H15NO4/c1-18-11-4-2-3-9(7-11)12(13(16)17)14(8-15)10-5-6-10/h2-4,7-8,10,12H,5-6H2,1H3,(H,16,17)
InChIKeyMBFRNVSMQGJUEN-UHFFFAOYSA-N
XLogP1.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559
2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63701640
2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 114937473
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
CID 55233210
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 81134882

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid (CID 63689483) is 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid is COc1cccc(C(C(=O)O)N(C=O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid?
The InChIKey is MBFRNVSMQGJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-18-11-4-2-3-9(7-11)12(13(16)17)14(8-15)10-5-6-10/h2-4,7-8,10,12H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid?
2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid is sourced from PubChem (CID 63689483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).