2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid

C11H20N2O3 — CID 43371697

IUPAC2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-10(14)15)11(16)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyODPXTHVFXNFQRO-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds4

About 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid

2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid (PubChem CID 43371697) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
PubChem CID43371697
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCC1CCCCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-10(14)15)11(16)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyODPXTHVFXNFQRO-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
1-butyl-3-(cyclopentylmethyl)-1-methylurea
CID 108902611
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
3-[[3-(cyclohexylmethylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119911752
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[methyl-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]amino]acetic acid
CID 106020947
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
3-(cyclohexylmethyl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108902822
3-[2-(cyclopentylmethoxy)ethylcarbamoyl-methylamino]propanoic acid
CID 122017077

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid (CID 43371697) is 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid is CN(CC(=O)O)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid?
The InChIKey is ODPXTHVFXNFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(8-10(14)15)11(16)12-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid?
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid is sourced from PubChem (CID 43371697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).