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

C9H16N2O3 — CID 114618116

IUPAC2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
SMILESC=C(C)CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-10-9(14)11(4)7(3)8(12)13/h7H,1,5H2,2-4H3,(H,10,14)(H,12,13)
InChIKeyUMHOUITZWLITAM-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.68
Rot. Bonds4

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

2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid (PubChem CID 114618116) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
PubChem CID114618116
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
SMILESC=C(C)CNC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-10-9(14)11(4)7(3)8(12)13/h7H,1,5H2,2-4H3,(H,10,14)(H,12,13)
InChIKeyUMHOUITZWLITAM-UHFFFAOYSA-N
XLogP0.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.68
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-[3-(dimethylamino)propylcarbamoyl-methylamino]propanoic acid
CID 62637183
2-[methyl(3,3,3-trifluoropropylcarbamoyl)amino]propanoic acid
CID 63227857
2-[methyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]propanoic acid
CID 63959874
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl-methylamino]propanoic acid
CID 62637361
2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106
2-[methyl(4-propan-2-yloxybutylcarbamoyl)amino]propanoic acid
CID 106004564
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
N-methyl-2-(2-methylprop-2-enylamino)-N-propan-2-ylacetamide
CID 114616817
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
CID 107419800
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid (CID 114618116) is 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid is C=C(C)CNC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
The InChIKey is UMHOUITZWLITAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)5-10-9(14)11(4)7(3)8(12)13/h7H,1,5H2,2-4H3,(H,10,14)(H,12,13).
What are the key properties of 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid?
2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 114618116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).