4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 63626346

IUPAC4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11-3-2-9-17(10-8-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyFLTFTXVRWKNYEM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.46
Rot. Bonds2

About 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63626346) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63626346
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-11-3-2-9-17(10-8-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyFLTFTXVRWKNYEM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-[[4-(methoxymethyl)azepane-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024551
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
N-(1-acetylpiperidin-4-yl)-4-methylpiperidine-1-carboxamide
CID 47240960
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857
4-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 106587983
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63626346) is 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCN(C(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FLTFTXVRWKNYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-3-2-9-17(10-8-11)15(20)16-13-6-4-12(5-7-13)14(18)19/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63626346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).