2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

C12H22N2O3 — CID 43442686

IUPAC2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCC(NC(=O)CN(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-3-5-10(6-4-9)13-11(15)7-14(2)8-12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyKEWIZKUEDWVFEU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds5

About 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43442686) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43442686
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCC1CCC(NC(=O)CN(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-9-3-5-10(6-4-9)13-11(15)7-14(2)8-12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyKEWIZKUEDWVFEU-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]acetic acid
CID 55003311
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-(4-methylcyclohexyl)acetamide
CID 62013818
N-cyclopropyl-2-[(3-cyclopropyl-2-oxopropyl)-methylamino]acetamide
CID 58444119
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-cyclopropyl-2-[[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 11934719
N-(4-methylcyclohexyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825193
2-[[3-(cyclohexylamino)-3-oxopropyl]-methylamino]acetic acid
CID 43442622
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (CID 43442686) is 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is CC1CCC(NC(=O)CN(C)CC(=O)O)CC1.
What is the InChIKey of 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is KEWIZKUEDWVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-3-5-10(6-4-9)13-11(15)7-14(2)8-12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).