3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid

C13H23NO3 — CID 107175586

IUPAC3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)7-5-6-9(12)11(17)14-13(3,4)8-10(15)16/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyWQTQXXWQYKLEAK-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds4

About 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid

3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid (PubChem CID 107175586) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid
PubChem CID107175586
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)7-5-6-9(12)11(17)14-13(3,4)8-10(15)16/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyWQTQXXWQYKLEAK-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic 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-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920580
2,2-dimethyl-N-(2-methylbut-3-yn-2-yl)cyclopentane-1-carboxamide
CID 104919738
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107299242
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180415
3-[(2-cycloheptylacetyl)amino]-3-methylbutanoic acid
CID 115909826
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
5-[(2,2-dimethylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175880
N-(3-cyanopentan-3-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178540
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-(4-bromobutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184530

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid (CID 107175586) is 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C1CCCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid?
The InChIKey is WQTQXXWQYKLEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)7-5-6-9(12)11(17)14-13(3,4)8-10(15)16/h9H,5-8H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid?
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentanecarbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 107175586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).