3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid

C11H20N2O3 — CID 63042445

IUPAC3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(CNC1CCCC(C(=O)O)C1)C(N)=O
InChIInChI=1S/C11H20N2O3/c1-7(10(12)14)6-13-9-4-2-3-8(5-9)11(15)16/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyDAFKUYHOOZWDJT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.34
Rot. Bonds5

About 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid

3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042445) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042445
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(CNC1CCCC(C(=O)O)C1)C(N)=O
InChIInChI=1S/C11H20N2O3/c1-7(10(12)14)6-13-9-4-2-3-8(5-9)11(15)16/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16)
InChIKeyDAFKUYHOOZWDJT-UHFFFAOYSA-N
XLogP0.34
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-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

3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
cis-(1S,3R)-3-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 95363190
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63042085
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 106346718
3-(2-ethylbutylamino)cyclohexane-1-carboxamide
CID 115756932
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
2-methyl-3-[(2-methylcyclopropyl)amino]propanamide
CID 62398724
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
3-[[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]amino]cyclohexane-1-carboxylic acid
CID 167132107
3-[(4-carbamoylcyclohexyl)amino]-2-methylpropanoic acid
CID 61044220
cis-(1R,3S)-3-(1-aminoethyl)cyclohexane-1-carboxylic acid
CID 67863666
ethyl 3-(cyclobutylamino)-2-methylpropanoate
CID 62415345

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid (CID 63042445) is 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid is CC(CNC1CCCC(C(=O)O)C1)C(N)=O.
What is the InChIKey of 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DAFKUYHOOZWDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(10(12)14)6-13-9-4-2-3-8(5-9)11(15)16/h7-9,13H,2-6H2,1H3,(H2,12,14)(H,15,16).
What are the key properties of 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).