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

C14H26N2O3 — CID 61198780

IUPAC2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)16(10-13(17)18)14(19)15-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUNNGNHSRAVRWBS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds6

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

2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid (PubChem CID 61198780) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
PubChem CID61198780
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)NCC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-11(2)16(10-13(17)18)14(19)15-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyUNNGNHSRAVRWBS-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butan-2-yl(cyclohexylcarbamoyl)amino]acetic acid
CID 60828429
2-[cyclohexylmethylcarbamoyl(methyl)amino]acetic acid
CID 43371697
2-[(4-methylcyclohexyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 55174095
2-[butan-2-yl-(2-cyclohexylacetyl)amino]acetic acid
CID 60828230
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
2-[tert-butyl(cyclobutylmethylcarbamoyl)amino]acetic acid
CID 79257496
2-[cyclopropylmethylcarbamoyl(methyl)amino]acetic acid
CID 43135716
2-[butan-2-yl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]acetic acid
CID 114400930
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61407553

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid (CID 61198780) is 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid?
The InChIKey is UNNGNHSRAVRWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-11(2)16(10-13(17)18)14(19)15-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid?
2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(cyclohexylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61198780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).