2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid

C18H25NO3 — CID 119202829

IUPAC2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
SMILESCc1ccc(CCCCC(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C18H25NO3/c1-13-7-9-15(10-8-13)5-3-4-6-17(20)19(16-11-12-16)14(2)18(21)22/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,21,22)
InChIKeyANOUWLQBOGPRKU-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.17
Rot. Bonds8

About 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid

2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid (PubChem CID 119202829) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
PubChem CID119202829
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid
SMILESCc1ccc(CCCCC(=O)N(C2CC2)C(C)C(=O)O)cc1
InChIInChI=1S/C18H25NO3/c1-13-7-9-15(10-8-13)5-3-4-6-17(20)19(16-11-12-16)14(2)18(21)22/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,21,22)
InChIKeyANOUWLQBOGPRKU-UHFFFAOYSA-N
XLogP3.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoic acid
CID 119202169
2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]propanoic acid
CID 119202570
2-[cyclopropyl-[3-(4-methoxycarbonylphenyl)propanoyl]amino]propanoic acid
CID 122067383
2-[cyclopropyl(6-thiophen-2-ylhexanoyl)amino]propanoic acid
CID 119203403
2-[cyclopropyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119203206
2-[cyclopropyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanoic acid
CID 119203061
2-[cyclopropyl-[2-(4-iodophenyl)acetyl]amino]propanoic acid
CID 122067423
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
N-(1-aminopropan-2-yl)-N-methyl-5-(4-methylphenyl)pentanamide
CID 119582075
4-[3-[cyclopropyl(propan-2-yl)amino]-3-oxopropyl]benzoic acid
CID 119182940
2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
CID 119203001
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid (CID 119202829) is 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid is Cc1ccc(CCCCC(=O)N(C2CC2)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid?
The InChIKey is ANOUWLQBOGPRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-13-7-9-15(10-8-13)5-3-4-6-17(20)19(16-11-12-16)14(2)18(21)22/h7-10,14,16H,3-6,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid?
2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid has a molecular weight of 303.40 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[5-(4-methylphenyl)pentanoyl]amino]propanoic acid is sourced from PubChem (CID 119202829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).