1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid

C17H29N3O4 — CID 120539809

IUPAC1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC(=O)NC1CCCCC1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29N3O4/c1-20(17(15(22)23)10-6-3-7-11-17)14(21)12-18-16(24)19-13-8-4-2-5-9-13/h13H,2-12H2,1H3,(H,22,23)(H2,18,19,24)
InChIKeyFITZRONLJPAXPN-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.86
Rot. Bonds5

About 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid

1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539809) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539809
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CNC(=O)NC1CCCCC1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29N3O4/c1-20(17(15(22)23)10-6-3-7-11-17)14(21)12-18-16(24)19-13-8-4-2-5-9-13/h13H,2-12H2,1H3,(H,22,23)(H2,18,19,24)
InChIKeyFITZRONLJPAXPN-UHFFFAOYSA-N
XLogP1.86
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopentylcarbamoylamino)-N,N-dimethylacetamide
CID 38168189
1-[[2-(2,2-dimethylpropanoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120540216
2-(cyclohexylcarbamoylamino)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 47412250
N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
1-cyclopentyl-3-[[1-(dimethylamino)cyclobutyl]methyl]urea
CID 105416058
1-cyclohexyl-3-(3,3-dimethyl-2-oxobutyl)urea
CID 60970162
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
1-(cyclooctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61181425
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid (CID 120539809) is 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid is CN(C(=O)CNC(=O)NC1CCCCC1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FITZRONLJPAXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-20(17(15(22)23)10-6-3-7-11-17)14(21)12-18-16(24)19-13-8-4-2-5-9-13/h13H,2-12H2,1H3,(H,22,23)(H2,18,19,24).
What are the key properties of 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid?
1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexylcarbamoylamino)acetyl]-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).