4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

C16H28N2O4 — CID 122024286

IUPAC4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCC(CO)CC1
InChIInChI=1S/C16H28N2O4/c1-18(14-8-2-11(10-19)3-9-14)16(22)17-13-6-4-12(5-7-13)15(20)21/h11-14,19H,2-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyHVHGCNXLMVUYDR-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.82
Rot. Bonds4

About 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024286) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024286
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)NC1CCC(C(=O)O)CC1)C1CCC(CO)CC1
InChIInChI=1S/C16H28N2O4/c1-18(14-8-2-11(10-19)3-9-14)16(22)17-13-6-4-12(5-7-13)15(20)21/h11-14,19H,2-10H2,1H3,(H,17,22)(H,20,21)
InChIKeyHVHGCNXLMVUYDR-UHFFFAOYSA-N
XLogP1.82
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
cis-(1R,3S)-3-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319286
4-[[methyl(oxan-4-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61203490
4-[[(3,3-dimethylcyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024515
4-[[(3-hydroxycyclobutyl)-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122023782
1-[4-(hydroxymethyl)cyclohexyl]-1-methyl-3-propan-2-ylurea
CID 97018628
4-[[[cyclohexyl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79524949
4-[[methyl(pentan-3-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61202146
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid
CID 63700992
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122024286) is 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)NC1CCC(C(=O)O)CC1)C1CCC(CO)CC1.
What is the InChIKey of 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is HVHGCNXLMVUYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-18(14-8-2-11(10-19)3-9-14)16(22)17-13-6-4-12(5-7-13)15(20)21/h11-14,19H,2-10H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(hydroxymethyl)cyclohexyl]-methylcarbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).