2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid

C15H19NO4 — CID 63687800

IUPAC2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)(c1ccc(OC)cc1)N(C=O)C1CC1
InChIInChI=1S/C15H19NO4/c1-3-15(14(18)19,16(10-17)12-6-7-12)11-4-8-13(20-2)9-5-11/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyAGVFFYYUMDQNML-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.01
Rot. Bonds7

About 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid

2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid (PubChem CID 63687800) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid
PubChem CID63687800
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid
SMILESCCC(C(=O)O)(c1ccc(OC)cc1)N(C=O)C1CC1
InChIInChI=1S/C15H19NO4/c1-3-15(14(18)19,16(10-17)12-6-7-12)11-4-8-13(20-2)9-5-11/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19)
InChIKeyAGVFFYYUMDQNML-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.01
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-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid
CID 63689481
2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
CID 63687261
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624
2-cyclopropyl-2-(4-methoxyanilino)butanoic acid
CID 64917422
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-(4-methoxyphenyl)-2-(4-pyrrolidin-1-ylphenyl)butanoic acid
CID 19868117
1,1-bis(4-methoxyphenyl)-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 143526541
2-fluoro-3-hydroxy-2-(4-methoxyphenyl)propanoic acid
CID 178069043

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid?
The IUPAC name of 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid (CID 63687800) is 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid?
The canonical SMILES for 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid is CCC(C(=O)O)(c1ccc(OC)cc1)N(C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid?
The InChIKey is AGVFFYYUMDQNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-3-15(14(18)19,16(10-17)12-6-7-12)11-4-8-13(20-2)9-5-11/h4-5,8-10,12H,3,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid?
2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.01, 7 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-(4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 63687800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).