2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid

C12H21N3O4 — CID 64554848

IUPAC2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
SMILESCC1CCCC(N)(C(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8-3-2-4-12(13,5-8)11(19)15-6-9(16)14-7-10(17)18/h8H,2-7,13H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyOCKICHLYZBUBAN-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.79
Rot. Bonds5

About 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid

2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid (PubChem CID 64554848) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
PubChem CID64554848
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
SMILESCC1CCCC(N)(C(=O)NCC(=O)NCC(=O)O)C1
InChIInChI=1S/C12H21N3O4/c1-8-3-2-4-12(13,5-8)11(19)15-6-9(16)14-7-10(17)18/h8H,2-7,13H2,1H3,(H,14,16)(H,15,19)(H,17,18)
InChIKeyOCKICHLYZBUBAN-UHFFFAOYSA-N
XLogP-0.79
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)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

1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
CID 65466641
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-amino-N-(4,4-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64554668
1-amino-N-[(4-ethylcyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64554630
1-amino-N-(2-methoxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 115739676
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
1-amino-N-cyclopentyl-3-methylcyclohexane-1-carboxamide
CID 64548983

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid (CID 64554848) is 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid is CC1CCCC(N)(C(=O)NCC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is OCKICHLYZBUBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8-3-2-4-12(13,5-8)11(19)15-6-9(16)14-7-10(17)18/h8H,2-7,13H2,1H3,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 64554848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).