2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid

C10H18N2O3 — CID 114618106

IUPAC2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
SMILESC=C(C)CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)6-11-9(15)12(5)10(3,4)8(13)14/h1,6H2,2-5H3,(H,11,15)(H,13,14)
InChIKeyJBRNIOLRDOXYHD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.07
Rot. Bonds4

About 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid (PubChem CID 114618106) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
PubChem CID114618106
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
SMILESC=C(C)CNC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)6-11-9(15)12(5)10(3,4)8(13)14/h1,6H2,2-5H3,(H,11,15)(H,13,14)
InChIKeyJBRNIOLRDOXYHD-UHFFFAOYSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
CID 114618190
2-[(2-acetamidoacetyl)-methylamino]-2-methylpropanoic acid
CID 62819507
2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64599223
2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 83017661
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618116
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 55123701
2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
2-[(4-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 62820214
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid (CID 114618106) is 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid is C=C(C)CNC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The InChIKey is JBRNIOLRDOXYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)6-11-9(15)12(5)10(3,4)8(13)14/h1,6H2,2-5H3,(H,11,15)(H,13,14).
What are the key properties of 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 114618106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).