2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid

C11H20N2O3 — CID 39258593

IUPAC2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-13(9-5-3-2-4-6-9)8-10(14)12-7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyKDOBSHGFHNSWOF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid

2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid (PubChem CID 39258593) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
PubChem CID39258593
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
SMILESCN(CC(=O)NCC(=O)O)C1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-13(9-5-3-2-4-6-9)8-10(14)12-7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyKDOBSHGFHNSWOF-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]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-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
2-[[2-[cyclopropyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 55628038
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]propanoic acid
CID 82041637
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 18087279
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid (CID 39258593) is 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid is CN(CC(=O)NCC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid?
The InChIKey is KDOBSHGFHNSWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(9-5-3-2-4-6-9)8-10(14)12-7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid?
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 39258593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).