2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid

C13H24N2O3 — CID 60828429

IUPAC2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(2)15(9-12(16)17)13(18)14-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHMVPSOWAZFFRJL-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.21
Rot. Bonds5

About 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid

2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid (PubChem CID 60828429) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
PubChem CID60828429
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(2)15(9-12(16)17)13(18)14-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyHMVPSOWAZFFRJL-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
CID 61198780
2-[butan-2-yl-[(3,3-dimethylcyclopentyl)carbamoyl]amino]acetic acid
CID 114549103
2-[butan-2-yl-[(2,3-dimethylcyclohexyl)carbamoyl]amino]acetic acid
CID 61190950
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
3-cyclohexyl-1-methyl-1-(2-methylbutyl)urea
CID 115585875
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
3-cyclohexyl-1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 54916723
2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid (CID 60828429) is 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid?
The InChIKey is HMVPSOWAZFFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(2)15(9-12(16)17)13(18)14-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 60828429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).