2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid

C17H23NO3 — CID 119202486

IUPAC2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
SMILESCc1ccccc1C(C)CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-11-6-4-5-7-15(11)12(2)10-16(19)18(14-8-9-14)13(3)17(20)21/h4-7,12-14H,8-10H2,1-3H3,(H,20,21)
InChIKeySFXMLSATMFUJDV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.95
Rot. Bonds6

About 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid

2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid (PubChem CID 119202486) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
PubChem CID119202486
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid
SMILESCc1ccccc1C(C)CC(=O)N(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H23NO3/c1-11-6-4-5-7-15(11)12(2)10-16(19)18(14-8-9-14)13(3)17(20)21/h4-7,12-14H,8-10H2,1-3H3,(H,20,21)
InChIKeySFXMLSATMFUJDV-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid (CID 119202486) is 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid is Cc1ccccc1C(C)CC(=O)N(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid?
The InChIKey is SFXMLSATMFUJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-6-4-5-7-15(11)12(2)10-16(19)18(14-8-9-14)13(3)17(20)21/h4-7,12-14H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2-methylphenyl)butanoyl]amino]propanoic acid is sourced from PubChem (CID 119202486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).