2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

C16H27NO3 — CID 107175872

IUPAC2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H27NO3/c1-15(2)9-5-4-7-11(15)13(18)17-12-8-6-10-16(12,3)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDUQVBBVPGDFSSP-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.96
Rot. Bonds3

About 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107175872) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID107175872
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H27NO3/c1-15(2)9-5-4-7-11(15)13(18)17-12-8-6-10-16(12,3)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyDUQVBBVPGDFSSP-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
2-[(2-aminocyclohexanecarbonyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83214162
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214275
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175737
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[(2,2-dimethylcyclopentanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175736
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 107175872) is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C)CCCCC1C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is DUQVBBVPGDFSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2)9-5-4-7-11(15)13(18)17-12-8-6-10-16(12,3)14(19)20/h11-12H,4-10H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107175872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).