3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid

C13H23NO3 — CID 82323439

IUPAC3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
SMILESCCCC(=O)N(CC(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-3-6-12(15)14(9-10(2)13(16)17)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyIMMPHULSWXDRFC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.28
Rot. Bonds6

About 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid

3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid (PubChem CID 82323439) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
PubChem CID82323439
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid
SMILESCCCC(=O)N(CC(C)C(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO3/c1-3-6-12(15)14(9-10(2)13(16)17)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyIMMPHULSWXDRFC-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cycloheptyl(3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 82324129
3-[cyclohexyl(2-ethylbutanoyl)amino]-2-methylpropanoic acid
CID 82323902
3-[cyclopropyl(4-propan-2-yloxybutanoyl)amino]-2-methylpropanoic acid
CID 120689469
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
(2S)-3-[cyclopropyl-[3-[(2S,5R)-5-methyloxolan-2-yl]propanoyl]amino]-2-methylpropanoic acid
CID 124689103
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
3-[3-carboxypropyl(cycloheptyl)amino]-2-methylpropanoic acid
CID 82330624
3-[[cyclopentyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007383
N-(3-aminopropyl)-N-cycloheptylbutanamide
CID 43136885
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620

Frequently Asked Questions

What is the IUPAC name of 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid (CID 82323439) is 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid is CCCC(=O)N(CC(C)C(=O)O)C1CCCC1.
What is the InChIKey of 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid?
The InChIKey is IMMPHULSWXDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-6-12(15)14(9-10(2)13(16)17)11-7-4-5-8-11/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid?
3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butanoyl(cyclopentyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82323439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).