1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid

C11H19NO3 — CID 80698762

IUPAC1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC(=O)N(C)C1(C(=O)O)CCC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-8(13)12(4)11(9(14)15)6-5-10(2,3)7-11/h5-7H2,1-4H3,(H,14,15)
InChIKeyNEEHSAMTKZVNJU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds2

About 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid

1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid (PubChem CID 80698762) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
PubChem CID80698762
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC(=O)N(C)C1(C(=O)O)CCC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-8(13)12(4)11(9(14)15)6-5-10(2,3)7-11/h5-7H2,1-4H3,(H,14,15)
InChIKeyNEEHSAMTKZVNJU-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 80699020
4-[acetyl(methyl)amino]thiane-4-carboxylic acid
CID 63702186
1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64753895
1-[formyl(methyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085718
1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 58838583
1-[formyl(propan-2-yl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085666
1-chloro-4,4-dimethylcyclohexane-1-carboxylic acid
CID 165485551
1-[ethyl(formyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085716
1-(carboxymethyl)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 90414341
1-[1-(dimethylamino)cyclopropyl]ethanone;ethane
CID 176559162
methyl-(1-methylcyclobutyl)carbamic acid
CID 175139103
1-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 130573712

Frequently Asked Questions

What is the IUPAC name of 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid (CID 80698762) is 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid is CC(=O)N(C)C1(C(=O)O)CCC(C)(C)C1.
What is the InChIKey of 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is NEEHSAMTKZVNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)12(4)11(9(14)15)6-5-10(2,3)7-11/h5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[acetyl(methyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 80698762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).