2-(decylcarbamoylamino)-2-methylbutanoic acid

C16H32N2O3 — CID 63481197

IUPAC2-(decylcarbamoylamino)-2-methylbutanoic acid
SMILESCCCCCCCCCCNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-6-7-8-9-10-11-12-13-17-15(21)18-16(3,5-2)14(19)20/h4-13H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyBYBXDLPYMHZBNF-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.68
Rot. Bonds12

About 2-(decylcarbamoylamino)-2-methylbutanoic acid

2-(decylcarbamoylamino)-2-methylbutanoic acid (PubChem CID 63481197) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(decylcarbamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(decylcarbamoylamino)-2-methylbutanoic acid
PubChem CID63481197
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(decylcarbamoylamino)-2-methylbutanoic acid
SMILESCCCCCCCCCCNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C16H32N2O3/c1-4-6-7-8-9-10-11-12-13-17-15(21)18-16(3,5-2)14(19)20/h4-13H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyBYBXDLPYMHZBNF-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-methyl-2-(3-methylsulfanylpropylcarbamoylamino)butanoic acid
CID 79801622
2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
1-tert-butyl-3-hexylurea
CID 115571487
3-(hexylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265326
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-methyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 79801540
1-decyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 71672034
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2-(4-imidazol-1-ylbutylcarbamoylamino)-2-methylbutanoic acid
CID 79800984
2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 103994211

Frequently Asked Questions

What is the IUPAC name of 2-(decylcarbamoylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(decylcarbamoylamino)-2-methylbutanoic acid (CID 63481197) is 2-(decylcarbamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(decylcarbamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(decylcarbamoylamino)-2-methylbutanoic acid is CCCCCCCCCCNC(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-(decylcarbamoylamino)-2-methylbutanoic acid?
The InChIKey is BYBXDLPYMHZBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-6-7-8-9-10-11-12-13-17-15(21)18-16(3,5-2)14(19)20/h4-13H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(decylcarbamoylamino)-2-methylbutanoic acid?
2-(decylcarbamoylamino)-2-methylbutanoic acid has a molecular weight of 300.44 g/mol, XLogP of 3.68, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylcarbamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 63481197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).