2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid

C12H22N2O3 — CID 62405987

IUPAC2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
SMILESCC(NC(=O)N(C)CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(10-6-4-3-5-7-10)13-12(17)14(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNCYLMNZJBBONMU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds4

About 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid

2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 62405987) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
PubChem CID62405987
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
SMILESCC(NC(=O)N(C)CC(=O)O)C1CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(10-6-4-3-5-7-10)13-12(17)14(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyNCYLMNZJBBONMU-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
CID 62826284
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
3-[(1S)-1-cyclohexylethyl]-1-methyl-1-[(5-methyl-1H-imidazol-2-yl)methyl]urea
CID 125447310

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid (CID 62405987) is 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid is CC(NC(=O)N(C)CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is NCYLMNZJBBONMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10-6-4-3-5-7-10)13-12(17)14(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid?
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 62405987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).