3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid

C15H28N2O2 — CID 63906996

IUPAC3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
SMILESCCN(CC(NC)(C(=O)O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-17(13-7-5-4-6-8-13)11-15(16-2,14(18)19)12-9-10-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyZWWKSXXQPCHOGT-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.09
Rot. Bonds7

About 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid

3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid (PubChem CID 63906996) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
PubChem CID63906996
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
SMILESCCN(CC(NC)(C(=O)O)C1CC1)C1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-3-17(13-7-5-4-6-8-13)11-15(16-2,14(18)19)12-9-10-12/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyZWWKSXXQPCHOGT-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic 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-cyclopropyl-3-[cyclopropyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63911879
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63912621
4-[cyclohexyl(ethyl)amino]-3,3-dimethylbutan-2-one
CID 66455311
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-cyclopropyl-2-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]propanoic acid
CID 63907041
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
2-cyclopropyl-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)propanoic acid
CID 63909168
2-cyclopropyl-3-[cyclopropyl(cyclopropylmethyl)amino]-2-(propylamino)propanoic acid
CID 64521042
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
3-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)propan-1-ol
CID 64797688
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797121
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid (CID 63906996) is 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid is CCN(CC(NC)(C(=O)O)C1CC1)C1CCCCC1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid?
The InChIKey is ZWWKSXXQPCHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-17(13-7-5-4-6-8-13)11-15(16-2,14(18)19)12-9-10-12/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid?
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid has a molecular weight of 268.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid is sourced from PubChem (CID 63906996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).