2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid

C12H21NO3 — CID 64814112

IUPAC2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-12(2,3)11(16)13-9-7-5-6-8(9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyCKTRSSAECFTKAL-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.79
Rot. Bonds4

About 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid

2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64814112) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID64814112
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)C(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C12H21NO3/c1-4-12(2,3)11(16)13-9-7-5-6-8(9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyCKTRSSAECFTKAL-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 64814582
N-(2-chlorocyclohexyl)-2,2-dimethylbutanamide
CID 114301240
N-(2-aminocycloheptyl)-2,2-dimethylbutanamide
CID 63258190
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
N-cyclopentyl-2,2-dimethylbutanamide
CID 4627793
2,2-dimethyl-N-(4-methylpiperidin-3-yl)butanamide
CID 63329342
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 23541532
2-(2-methylpentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113471946

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid (CID 64814112) is 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid is CCC(C)(C)C(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is CKTRSSAECFTKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-12(2,3)11(16)13-9-7-5-6-8(9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid?
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).