2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid

C14H16ClNO3 — CID 63689481

IUPAC2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid
SMILESCCC(C(=O)O)(c1cccc(Cl)c1)N(C=O)C1CC1
InChIInChI=1S/C14H16ClNO3/c1-2-14(13(18)19,16(9-17)12-6-7-12)10-4-3-5-11(15)8-10/h3-5,8-9,12H,2,6-7H2,1H3,(H,18,19)
InChIKeyMPFNVZJFTPHFPI-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.65
Rot. Bonds6

About 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid

2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid (PubChem CID 63689481) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid
PubChem CID63689481
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid
SMILESCCC(C(=O)O)(c1cccc(Cl)c1)N(C=O)C1CC1
InChIInChI=1S/C14H16ClNO3/c1-2-14(13(18)19,16(9-17)12-6-7-12)10-4-3-5-11(15)8-10/h3-5,8-9,12H,2,6-7H2,1H3,(H,18,19)
InChIKeyMPFNVZJFTPHFPI-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl(formyl)amino]-2-phenylpentanoic acid
CID 63687261
2-[acetyl(ethyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 55232397
2-[cyclopropyl(formyl)amino]-2-(4-methoxyphenyl)butanoic acid
CID 63687800
2-[acetyl(propyl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63701379
2-[acetyl(propan-2-yl)amino]-2-(3-chlorophenyl)butanoic acid
CID 63704056
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(3-chlorophenyl)-2-(4-ethyl-1-hydroxycyclohexyl)-3,3-dimethylbutanoic acid
CID 158267322
2-(3-chlorophenyl)-2-(methylamino)butanoic acid
CID 43753632
3-(3-chlorophenyl)-3-hydroxy-2,2-dimethylpentanoic acid
CID 62396288
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-chloro-2-(3-chlorophenyl)-2-(propanoylamino)acetic acid
CID 21387795

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid?
The IUPAC name of 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid (CID 63689481) is 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid?
The canonical SMILES for 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid is CCC(C(=O)O)(c1cccc(Cl)c1)N(C=O)C1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid?
The InChIKey is MPFNVZJFTPHFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-2-14(13(18)19,16(9-17)12-6-7-12)10-4-3-5-11(15)8-10/h3-5,8-9,12H,2,6-7H2,1H3,(H,18,19).
What are the key properties of 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid?
2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid has a molecular weight of 281.74 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-[cyclopropyl(formyl)amino]butanoic acid is sourced from PubChem (CID 63689481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).