2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid

C17H27NO3 — CID 81368303

IUPAC2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1C2CCCCC21)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H27NO3/c1-18(16(21)15-12-7-3-4-8-13(12)15)17(11-14(19)20)9-5-2-6-10-17/h12-13,15H,2-11H2,1H3,(H,19,20)
InChIKeyKHPQTMCJJVNSQT-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.06
Rot. Bonds4

About 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid

2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 81368303) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID81368303
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)C1C2CCCCC21)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C17H27NO3/c1-18(16(21)15-12-7-3-4-8-13(12)15)17(11-14(19)20)9-5-2-6-10-17/h12-13,15H,2-11H2,1H3,(H,19,20)
InChIKeyKHPQTMCJJVNSQT-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic 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-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
2-[1-[methyl(1,3-thiazolidine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 65240498
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
CID 65240806

Frequently Asked Questions

What is the IUPAC name of 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid (CID 81368303) is 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid is CN(C(=O)C1C2CCCCC21)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is KHPQTMCJJVNSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18(16(21)15-12-7-3-4-8-13(12)15)17(11-14(19)20)9-5-2-6-10-17/h12-13,15H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid?
2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 293.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 81368303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).