2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid

C14H25NO3 — CID 107175022

IUPAC2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CCCC1(C)C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)8-11(13(17)18)15-12(16)10-6-5-7-14(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIBIJNRHSBDRTFC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid

2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid (PubChem CID 107175022) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
PubChem CID107175022
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)C1CCCC1(C)C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-9(2)8-11(13(17)18)15-12(16)10-6-5-7-14(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyIBIJNRHSBDRTFC-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Stearoyl Leucine
CID 203427
Palmitoyl Isoleucine
CID 14993927
2-(Cyclohexylformamido)-3-methylbutanoic acid
CID 2958090
N-Palmitoyl leucine
CID 14993928
2-(Cyclopentylformamido)propanoic acid
CID 12621980
N-Cyclohexanoylleucine
CID 129440
(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
(Cyclohexanecarbonyl)-L-leucine
CID 9992929
(R)-2-((S)-Hexadecanoylamino)-4-methyl-pentanoic acid
CID 10067704
(2S)-4-methyl-2-[(2-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10538955
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2S)-4-methyl-2-[(3-methylcyclohexanecarbonyl)amino]pentanoic acid
CID 10562978

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid (CID 107175022) is 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)C1CCCC1(C)C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid?
The InChIKey is IBIJNRHSBDRTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)8-11(13(17)18)15-12(16)10-6-5-7-14(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid?
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentanecarbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 107175022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).