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

C17H29NO3 — CID 107175737

IUPAC2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C17H29NO3/c1-17(2)11-7-6-9-13(17)15(19)18-14-10-5-3-4-8-12(14)16(20)21/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPXMMWRJLJRWOF-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.35
Rot. Bonds3

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

2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 107175737) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID107175737
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid
SMILESCC1(C)CCCCC1C(=O)NC1CCCCCC1C(=O)O
InChIInChI=1S/C17H29NO3/c1-17(2)11-7-6-9-13(17)15(19)18-14-10-5-3-4-8-12(14)16(20)21/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNPXMMWRJLJRWOF-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175736
N-(2-hydroxycycloheptyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180446
N-(2-aminocyclopentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180715
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
3-[(2,2-dimethylcyclopentanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 107175654
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
2-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175594
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid (CID 107175737) is 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid is CC1(C)CCCCC1C(=O)NC1CCCCCC1C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is NPXMMWRJLJRWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-17(2)11-7-6-9-13(17)15(19)18-14-10-5-3-4-8-12(14)16(20)21/h12-14H,3-11H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid?
2-[(2,2-dimethylcyclohexanecarbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.35, 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]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 107175737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).