2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid

C11H20N2O3 — CID 114618190

IUPAC2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
SMILESC=C(C)CNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6-13(11(4,5)9(14)15)10(16)12-7-8(2)3/h2,6-7H2,1,3-5H3,(H,12,16)(H,14,15)
InChIKeyXDBYITVUTAVUEM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.46
Rot. Bonds5

About 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 114618190) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID114618190
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid
SMILESC=C(C)CNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-6-13(11(4,5)9(14)15)10(16)12-7-8(2)3/h2,6-7H2,1,3-5H3,(H,12,16)(H,14,15)
InChIKeyXDBYITVUTAVUEM-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.46
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-methyl-2-[methyl(2-methylprop-2-enylcarbamoyl)amino]propanoic acid
CID 114618106
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
2-[[2-(2,2-dimethylpropanoylamino)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62818946
2-[ethyl-[3-(ethylamino)propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62820771
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822227
2-[ethyl-[(2-methylcyclopropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62819971
2-[ethyl(4-methoxybutylcarbamoyl)amino]-2-methylpropanoic acid
CID 55123707
2-[ethyl-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114114333
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
2-[ethyl-[(4-methylpiperazin-1-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 83020326
2-[(1,1-dioxothian-4-yl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62822169
2-[2-cyclopropylpropan-2-ylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 114111563

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid (CID 114618190) is 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid is C=C(C)CNC(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is XDBYITVUTAVUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-6-13(11(4,5)9(14)15)10(16)12-7-8(2)3/h2,6-7H2,1,3-5H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylprop-2-enylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114618190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).