ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate

C13H26N2O2 — CID 63030150

IUPACethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)12(14)9-10-15(2)11-7-5-4-6-8-11/h11-12H,3-10,14H2,1-2H3
InChIKeyHOIFZKFTBPRUNH-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate

ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate (PubChem CID 63030150) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
PubChem CID63030150
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
SMILESCCOC(=O)C(N)CCN(C)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-13(16)12(14)9-10-15(2)11-7-5-4-6-8-11/h11-12H,3-10,14H2,1-2H3
InChIKeyHOIFZKFTBPRUNH-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate (CID 63030150) is ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate is CCOC(=O)C(N)CCN(C)C1CCCCC1.
What is the InChIKey of ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate?
The InChIKey is HOIFZKFTBPRUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-13(16)12(14)9-10-15(2)11-7-5-4-6-8-11/h11-12H,3-10,14H2,1-2H3.
What are the key properties of ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate?
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate is sourced from PubChem (CID 63030150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).