2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 64816386

IUPAC2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-3-2-6-10-17(11)15(20)16-13-9-5-4-8-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRESHUVFWTRFNMN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.60
Rot. Bonds2

About 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid

2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64816386) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64816386
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCCN1C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-7-3-2-6-10-17(11)15(20)16-13-9-5-4-8-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyRESHUVFWTRFNMN-UHFFFAOYSA-N
XLogP2.60
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64816122
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-methyl-1-[(2-methylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744292
1-methyl-2-[(2-methylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82766003
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
2-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744253

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64816386) is 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCCCN1C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RESHUVFWTRFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-7-3-2-6-10-17(11)15(20)16-13-9-5-4-8-12(13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).