2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid

C12H22N2O3 — CID 79799061

IUPAC2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESC=C(C)CN(CC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-6-12(5,10(15)16)13-11(17)14(7-2)8-9(3)4/h3,6-8H2,1-2,4-5H3,(H,13,17)(H,15,16)
InChIKeyLDLQPEZOUXOEFT-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.85
Rot. Bonds6

About 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid

2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79799061) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79799061
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESC=C(C)CN(CC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-6-12(5,10(15)16)13-11(17)14(7-2)8-9(3)4/h3,6-8H2,1-2,4-5H3,(H,13,17)(H,15,16)
InChIKeyLDLQPEZOUXOEFT-UHFFFAOYSA-N
XLogP1.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.85
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-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799158
(2R)-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 113353148
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid (CID 79799061) is 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid is C=C(C)CN(CC)C(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is LDLQPEZOUXOEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-12(5,10(15)16)13-11(17)14(7-2)8-9(3)4/h3,6-8H2,1-2,4-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.85, 6 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-enyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79799061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).