1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid

C18H30N2O4 — CID 120538570

IUPAC1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(CC1CCCCC1)NCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C18H30N2O4/c21-15(12-14-8-4-3-5-9-14)19-13-16(22)20-18(17(23)24)10-6-1-2-7-11-18/h14H,1-13H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyWLFGABVXNAWXGH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.37
Rot. Bonds6

About 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid

1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538570) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538570
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(CC1CCCCC1)NCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C18H30N2O4/c21-15(12-14-8-4-3-5-9-14)19-13-16(22)20-18(17(23)24)10-6-1-2-7-11-18/h14H,1-13H2,(H,19,21)(H,20,22)(H,23,24)
InChIKeyWLFGABVXNAWXGH-UHFFFAOYSA-N
XLogP2.37
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-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

1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-(3-cyclohexylpropanoylamino)cyclopentane-1-carboxylic acid
CID 43329530
1-[[2-(azetidin-3-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64609550
2-[[2-[(2-cyclopentylacetyl)amino]acetyl]amino]acetic acid
CID 60657329
1-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43351064
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
1-(cyclopentylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162661
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid (CID 120538570) is 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid is O=C(CC1CCCCC1)NCC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is WLFGABVXNAWXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c21-15(12-14-8-4-3-5-9-14)19-13-16(22)20-18(17(23)24)10-6-1-2-7-11-18/h14H,1-13H2,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 338.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).