4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid

C11H12Cl2N2O4 — CID 107835081

IUPAC4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-7-2-1-6(5-8(7)13)15-11(19)14-4-3-9(16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19)
InChIKeyXHFWUGDIOSAJTQ-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.95
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107835081) has the molecular formula C11H12Cl2N2O4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107835081
Molecular FormulaC11H12Cl2N2O4
Molecular Weight307.13 g/mol
Exact Mass306.02
IUPAC Name4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESO=C(NCCC(O)C(=O)O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O4/c12-7-2-1-6(5-8(7)13)15-11(19)14-4-3-9(16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19)
InChIKeyXHFWUGDIOSAJTQ-UHFFFAOYSA-N
XLogP1.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(4-bromo-3-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107841614
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
(2S)-4-[(3-bromophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838138
4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838166
5-[(3,4-dichlorophenyl)carbamoylamino]pentanoic acid
CID 4083960
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-hydroxy-4-[(4-methoxy-3-methylphenyl)carbamoylamino]butanoic acid
CID 107839048
4-[(3,5-difluorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114007145
(2S)-4-[(4-cyanophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107835130

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107835081) is 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid is O=C(NCCC(O)C(=O)O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is XHFWUGDIOSAJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O4/c12-7-2-1-6(5-8(7)13)15-11(19)14-4-3-9(16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19).
What are the key properties of 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 307.13 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107835081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).