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

C12H21NO3 — CID 107175150

IUPAC4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
SMILESCC1CCCC1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H21NO3/c1-9-5-3-6-10(9)12(16)13(2)8-4-7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyZJIKTUKJXDEVHH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.75
Rot. Bonds5

About 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid

4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid (PubChem CID 107175150) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
PubChem CID107175150
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
SMILESCC1CCCC1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C12H21NO3/c1-9-5-3-6-10(9)12(16)13(2)8-4-7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15)
InChIKeyZJIKTUKJXDEVHH-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
4-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]butanoic acid
CID 81456744
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
4-[(2,6-dimethylpiperidine-1-carbonyl)-methylamino]butanoic acid
CID 43329817
2-amino-N-butyl-N,3-dimethylcyclohexane-1-carboxamide
CID 62781010
2-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60949039
4-[methyl-[(2R)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855520
N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
CID 107183874
2-[2-hydroxyethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978359

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid (CID 107175150) is 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid is CC1CCCC1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid?
The InChIKey is ZJIKTUKJXDEVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9-5-3-6-10(9)12(16)13(2)8-4-7-11(14)15/h9-10H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid?
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid is sourced from PubChem (CID 107175150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).