2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid

C15H29NO3 — CID 122128239

IUPAC2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyZTORVNTVPNBTBC-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.67
Rot. Bonds8

About 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid

2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid (PubChem CID 122128239) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
PubChem CID122128239
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC1CCC(COC)CC1)C(=O)O
InChIInChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18)
InChIKeyZTORVNTVPNBTBC-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic 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-ethyl-2-[[(3-methylcyclohexyl)amino]methyl]butanoic acid
CID 122128820
[4-(methoxymethyl)cyclohexyl]carbamic acid
CID 66699748
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
2-[[[3-(2-ethoxy-1,1-difluoro-2-oxoethyl)cyclopentyl]amino]methyl]-2-ethylbutanoic acid
CID 122128582
2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid
CID 122128209
2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128693
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
CID 122128335
2-ethyl-2-[[(3,3,5-trimethylcyclohexyl)amino]methyl]butanoic acid
CID 122128790
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
CID 79624157
ethane;2-[4-(methoxymethyl)cyclohexyl]acetic acid
CID 145213044
2-[[(4-cyano-4-phenylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128821
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid (CID 122128239) is 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid is CCC(CC)(CNC1CCC(COC)CC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
The InChIKey is ZTORVNTVPNBTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-15(5-2,14(17)18)11-16-13-8-6-12(7-9-13)10-19-3/h12-13,16H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid has a molecular weight of 271.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-(methoxymethyl)cyclohexyl]amino]methyl]butanoic acid is sourced from PubChem (CID 122128239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).