2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid

C11H20N2O6 — CID 64575086

IUPAC2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCOC(=O)CCCNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H20N2O6/c1-3-19-8(15)5-4-6-12-11(18)13-9(7(2)14)10(16)17/h7,9,14H,3-6H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyMBYYSNMCBYVFFA-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.54
Rot. Bonds8

About 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 64575086) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID64575086
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCOC(=O)CCCNC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H20N2O6/c1-3-19-8(15)5-4-6-12-11(18)13-9(7(2)14)10(16)17/h7,9,14H,3-6H2,1-2H3,(H,16,17)(H2,12,13,18)
InChIKeyMBYYSNMCBYVFFA-UHFFFAOYSA-N
XLogP-0.54
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic 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-ethoxy-2-oxoethyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61204346
(2S,3R)-3-hydroxy-2-(pentylcarbamoylamino)butanoic acid
CID 104965712
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839
3-hydroxy-2-(3-propoxypropylcarbamoylamino)butanoic acid
CID 82943538
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61403091
(2S,3S)-2-(3-carboxypropylcarbamoylamino)-3-methylpentanoic acid
CID 146684677
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
ethyl 4-(butylcarbamoylamino)butanoate
CID 60677353
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
(2S,3R)-3-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 104966114
2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
2-(2-ethylsulfonylethylcarbamoylamino)-3-hydroxybutanoic acid
CID 114111684

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid (CID 64575086) is 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid is CCOC(=O)CCCNC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is MBYYSNMCBYVFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-3-19-8(15)5-4-6-12-11(18)13-9(7(2)14)10(16)17/h7,9,14H,3-6H2,1-2H3,(H,16,17)(H2,12,13,18).
What are the key properties of 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-4-oxobutyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 64575086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).