2-methyl-2-(nonylcarbamoylamino)butanoic acid

C15H30N2O3 — CID 43129072

IUPAC2-methyl-2-(nonylcarbamoylamino)butanoic acid
SMILESCCCCCCCCCNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-6-7-8-9-10-11-12-16-14(20)17-15(3,5-2)13(18)19/h4-12H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyBXMDJWOSXVMTFN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.29
Rot. Bonds11

About 2-methyl-2-(nonylcarbamoylamino)butanoic acid

2-methyl-2-(nonylcarbamoylamino)butanoic acid (PubChem CID 43129072) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-2-(nonylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(nonylcarbamoylamino)butanoic acid
PubChem CID43129072
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-methyl-2-(nonylcarbamoylamino)butanoic acid
SMILESCCCCCCCCCNC(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-4-6-7-8-9-10-11-12-16-14(20)17-15(3,5-2)13(18)19/h4-12H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyBXMDJWOSXVMTFN-UHFFFAOYSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.29
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-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
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-methyl-2-(nonylcarbamoylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(nonylcarbamoylamino)butanoic acid (CID 43129072) is 2-methyl-2-(nonylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(nonylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(nonylcarbamoylamino)butanoic acid is CCCCCCCCCNC(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-methyl-2-(nonylcarbamoylamino)butanoic acid?
The InChIKey is BXMDJWOSXVMTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-6-7-8-9-10-11-12-16-14(20)17-15(3,5-2)13(18)19/h4-12H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-(nonylcarbamoylamino)butanoic acid?
2-methyl-2-(nonylcarbamoylamino)butanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.29, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(nonylcarbamoylamino)butanoic acid is sourced from PubChem (CID 43129072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).