4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C11H19NO3 — CID 103499014

IUPAC4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESC=CCN(CC)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-5-7-12(6-2)10(13)8(3)9(4)11(14)15/h5,8-9H,1,6-7H2,2-4H3,(H,14,15)
InChIKeyZKTLJULIKLNQRX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.38
Rot. Bonds6

About 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103499014) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103499014
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESC=CCN(CC)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-5-7-12(6-2)10(13)8(3)9(4)11(14)15/h5,8-9H,1,6-7H2,2-4H3,(H,14,15)
InChIKeyZKTLJULIKLNQRX-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
N-ethyl-3-methyl-N-prop-2-enyl-2-sulfanylbutanamide
CID 107033486
(2S)-2-amino-N-ethyl-N-prop-2-enylbutanamide
CID 81425726
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
(2R)-2-amino-N-ethyl-2-phenyl-N-prop-2-enylacetamide
CID 81426075
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495906
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
(2R,3R)-4-[bis(prop-2-enyl)amino]-2,3-dihydroxy-4-oxobutanoic acid
CID 57352985
4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920
1-ethyl-1,3-dimethyl-3-prop-2-enylurea
CID 116657053
(Z)-3-[bis(prop-2-enyl)amino]but-2-enoic acid
CID 21432845

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103499014) is 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid is C=CCN(CC)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is ZKTLJULIKLNQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-7-12(6-2)10(13)8(3)9(4)11(14)15/h5,8-9H,1,6-7H2,2-4H3,(H,14,15).
What are the key properties of 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103499014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).