4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 61201100

IUPAC4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14-6-4-2-3-5-7-14)16(21)17-13-10-8-12(9-11-13)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBWDQXYOKCMXKIR-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.99
Rot. Bonds3

About 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61201100) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61201100
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-18(14-6-4-2-3-5-7-14)16(21)17-13-10-8-12(9-11-13)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyBWDQXYOKCMXKIR-UHFFFAOYSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023782
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024286
4-[cycloheptyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784841
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
1-(azepan-4-yl)-3-cyclohexyl-1-methylurea
CID 107172653
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63042287

Frequently Asked Questions

What is the IUPAC name of 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 61201100) is 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCC(C(=O)O)CC1)C1CCCCCC1.
What is the InChIKey of 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BWDQXYOKCMXKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-18(14-6-4-2-3-5-7-14)16(21)17-13-10-8-12(9-11-13)15(19)20/h12-14H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61201100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).