cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 167012042

IUPACcis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCCCC1)N[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H26N2O3/c18-14(10-16-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)15(19)20/h11-13,16H,1-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyCGGRYHBYFCGONA-QWHCGFSZSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds5

About cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 167012042) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID167012042
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namecis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CNC1CCCCC1)N[C@@H]1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C15H26N2O3/c18-14(10-16-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)15(19)20/h11-13,16H,1-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1
InChIKeyCGGRYHBYFCGONA-QWHCGFSZSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]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-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-cyclohexyl-2-(thian-4-ylamino)acetamide
CID 115621808
2-[[2-(propylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813097
2-(cyclopropylamino)-N-(2-methylsulfanylcyclohexyl)acetamide
CID 103843972
2-(cyclooctylamino)-N-methylacetamide
CID 28575796
2-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 84720939
2-(cyclopentylamino)-N-(3-methylcyclopentyl)acetamide
CID 114546089
2-[[2-(cyclopentylamino)acetyl]amino]acetic acid
CID 61158187
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid (CID 167012042) is cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CNC1CCCCC1)N[C@@H]1CCCC[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CGGRYHBYFCGONA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(10-16-11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)15(19)20/h11-13,16H,1-10H2,(H,17,18)(H,19,20)/t12-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(cyclohexylamino)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 167012042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).