4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid

C7H13N3O4 — CID 43164836

IUPAC4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
SMILESCCNC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-2-9-7(14)10-4(6(12)13)3-5(8)11/h4H,2-3H2,1H3,(H2,8,11)(H,12,13)(H2,9,10,14)
InChIKeyBHXQAFVFNPJCJG-UHFFFAOYSA-N
MW203.20 g/mol
LogP-1.37
Rot. Bonds5

About 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid

4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid (PubChem CID 43164836) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
PubChem CID43164836
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
SMILESCCNC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C7H13N3O4/c1-2-9-7(14)10-4(6(12)13)3-5(8)11/h4H,2-3H2,1H3,(H2,8,11)(H,12,13)(H2,9,10,14)
InChIKeyBHXQAFVFNPJCJG-UHFFFAOYSA-N
XLogP-1.37
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-amino-2-(ethylcarbamoylamino)-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

(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2S)-4-amino-2-(2-ethoxyethylcarbamoylamino)-4-oxobutanoic acid
CID 63716980
4-amino-2-(2-methylsulfanylethylcarbamoylamino)-4-oxobutanoic acid
CID 63957476
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
(2S)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673
4-amino-2-(3-methylsulfanylpropylcarbamoylamino)-4-oxobutanoic acid
CID 63957721
(2R)-4-amino-2-(hexan-2-ylcarbamoylamino)-4-oxobutanoic acid
CID 107827459
(2S)-4-amino-2-(3-methylsulfanylbutylcarbamoylamino)-4-oxobutanoic acid
CID 113494157
(2R)-2-(ethylcarbamoylamino)-3-sulfanylpropanoic acid
CID 23618356

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid (CID 43164836) is 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid is CCNC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid?
The InChIKey is BHXQAFVFNPJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-2-9-7(14)10-4(6(12)13)3-5(8)11/h4H,2-3H2,1H3,(H2,8,11)(H,12,13)(H2,9,10,14).
What are the key properties of 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid?
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid has a molecular weight of 203.20 g/mol, XLogP of -1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 43164836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).