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

C15H26N2O4 — CID 107405645

IUPAC1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(O)CCCN(C(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-14(21)6-5-10-17(11-9-14)13(20)16-15(12(18)19)7-3-2-4-8-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyOMKDYNCOZNUUAY-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.72
Rot. Bonds2

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

1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 107405645) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID107405645
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1(O)CCCN(C(=O)NC2(C(=O)O)CCCCC2)CC1
InChIInChI=1S/C15H26N2O4/c1-14(21)6-5-10-17(11-9-14)13(20)16-15(12(18)19)7-3-2-4-8-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyOMKDYNCOZNUUAY-UHFFFAOYSA-N
XLogP1.72
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393937
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
1-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61405040
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(3,3,4-trimethylpiperazine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 63615862
N-cyclobutyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404109
1-[(4-cyclopentylpiperazine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81155811
1-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104959558

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 107405645) is 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1(O)CCCN(C(=O)NC2(C(=O)O)CCCCC2)CC1.
What is the InChIKey of 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OMKDYNCOZNUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(21)6-5-10-17(11-9-14)13(20)16-15(12(18)19)7-3-2-4-8-15/h21H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107405645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).