2-(butylcarbamoylamino)-2-methylpentanoic acid

C11H22N2O3 — CID 43619164

IUPAC2-(butylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCCNC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-8-12-10(16)13-11(3,7-5-2)9(14)15/h4-8H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyAZNXIFBOCZEOFR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds7

About 2-(butylcarbamoylamino)-2-methylpentanoic acid

2-(butylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 43619164) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(butylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(butylcarbamoylamino)-2-methylpentanoic acid
PubChem CID43619164
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-(butylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCCNC(=O)NC(C)(CCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-8-12-10(16)13-11(3,7-5-2)9(14)15/h4-8H2,1-3H3,(H,14,15)(H2,12,13,16)
InChIKeyAZNXIFBOCZEOFR-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
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-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 103994211
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2-(butylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79793296
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 79350072
2-methyl-2-(3-methylbut-2-enylcarbamoylamino)pentanoic acid
CID 106191134
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-methyl-2-(3-methylsulfanylpropylcarbamoylamino)butanoic acid
CID 79801622
2-(3-acetamidopropanoylamino)-2-methylpentanoic acid
CID 43618824
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107

Frequently Asked Questions

What is the IUPAC name of 2-(butylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(butylcarbamoylamino)-2-methylpentanoic acid (CID 43619164) is 2-(butylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(butylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(butylcarbamoylamino)-2-methylpentanoic acid is CCCCNC(=O)NC(C)(CCC)C(=O)O.
What is the InChIKey of 2-(butylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is AZNXIFBOCZEOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-8-12-10(16)13-11(3,7-5-2)9(14)15/h4-8H2,1-3H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(butylcarbamoylamino)-2-methylpentanoic acid?
2-(butylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 43619164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).