2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid

C9H16N2O3 — CID 24693363

IUPAC2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-10-8(14)11-9(3,4)7(12)13/h1,5H2,2-4H3,(H,12,13)(H2,10,11,14)
InChIKeyHVAYPHBNVYGWMT-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.72
Rot. Bonds4

About 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid

2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid (PubChem CID 24693363) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
PubChem CID24693363
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
SMILESC=C(C)CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)5-10-8(14)11-9(3,4)7(12)13/h1,5H2,2-4H3,(H,12,13)(H2,10,11,14)
InChIKeyHVAYPHBNVYGWMT-UHFFFAOYSA-N
XLogP0.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618034
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
2-methyl-2-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]propanoic acid
CID 61267137
2-(3,3-dimethylbutylcarbamoylamino)-2-methylpropanoic acid
CID 61481256
2-methyl-2-(pentylcarbamoylamino)propanoic acid
CID 18070358
2-[2-(dimethylamino)ethylcarbamoylamino]-2-methylpropanoic acid
CID 16784119
2-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106
2-[(2-ethoxy-2-methylpropyl)carbamoylamino]-2-methylpropanoic acid
CID 114943610
2-methyl-2-[(2-methylcyclopropyl)methylcarbamoylamino]propanoic acid
CID 103995921
2,2-dimethyl-N-(2-methylprop-2-enyl)butanamide
CID 114618641
2-(ethylamino)-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 114617159

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid (CID 24693363) is 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid is C=C(C)CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
The InChIKey is HVAYPHBNVYGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)5-10-8(14)11-9(3,4)7(12)13/h1,5H2,2-4H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid?
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid is sourced from PubChem (CID 24693363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).