4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid

C15H27NO3 — CID 60830928

IUPAC4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)16(11-5-8-15(18)19)14(17)10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyZZXJYCDCYRTCGW-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.06
Rot. Bonds8

About 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid

4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid (PubChem CID 60830928) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
PubChem CID60830928
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)CCC1CCCC1
InChIInChI=1S/C15H27NO3/c1-12(2)16(11-5-8-15(18)19)14(17)10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyZZXJYCDCYRTCGW-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
4-[2-cyclopentylethylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 61205751
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
3-cyclohexyl-N,N-di(propan-2-yl)propanamide
CID 4560477
4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
CID 61161104
CID 131865884
CID 131865884
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
4-[3-ethoxypropanoyl(propan-2-yl)amino]butanoic acid
CID 55091738
4-[3-aminobutanoyl(propan-2-yl)amino]butanoic acid
CID 61160723
N-(3-bromopropyl)-2-cyclopentyl-N-propan-2-ylacetamide
CID 80662000
5-[3-cyclohexylpropyl(methyl)amino]-5-oxopentanoic acid
CID 67699840

Frequently Asked Questions

What is the IUPAC name of 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid (CID 60830928) is 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)CCC1CCCC1.
What is the InChIKey of 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is ZZXJYCDCYRTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-12(2)16(11-5-8-15(18)19)14(17)10-9-13-6-3-4-7-13/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid?
4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 269.38 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-cyclopentylpropanoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60830928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).