3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid

C13H23NO3 — CID 107175600

IUPAC3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-8(2)11(13(16)17)7-14-12(15)10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyUVKBVTNEKMPJHA-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.90
Rot. Bonds5

About 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid

3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid (PubChem CID 107175600) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
PubChem CID107175600
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid
SMILESCC(C)C(CNC(=O)C1CCCC1C)C(=O)O
InChIInChI=1S/C13H23NO3/c1-8(2)11(13(16)17)7-14-12(15)10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyUVKBVTNEKMPJHA-UHFFFAOYSA-N
XLogP1.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Cyclopentylformamido)propanoic acid
CID 16228437
6-((2-Ethyl-1-oxohexyl)amino)hexanoic acid
CID 173331
3-(Cyclohexylformamido)butanoic acid
CID 43092437
(1R,2S)-2-acetamidocyclopentane-1-carboxylic acid
CID 129926169
Methyl 3-[[2-[(3-methoxy-3-oxopropyl)carbamoyl]cyclopentanecarbonyl]amino]propanoate
CID 75390738
3-[(3,3-Difluorocyclopentanecarbonyl)amino]propanoic acid;methane
CID 177183461
beta-Alanine, N-(3-cyclopentylpropionyl)-, butyl ester
CID 91730067
3-Acetamido-2-propylpentanoic acid
CID 71370702
2-[[(4,4-Difluorocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 81930525
2-[[(4,4-Difluorocyclohexanecarbonyl)amino]methyl]butanoic acid
CID 81930548
3-Methyl-2-[[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]methyl]butanoic acid
CID 81930843
2-[[(3,3-Difluorocyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 114226195

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid (CID 107175600) is 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid is CC(C)C(CNC(=O)C1CCCC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid?
The InChIKey is UVKBVTNEKMPJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(2)11(13(16)17)7-14-12(15)10-6-4-5-9(10)3/h8-11H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid?
3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid has a molecular weight of 241.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(2-methylcyclopentanecarbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 107175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).