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

C12H14Cl2N2O4 — CID 62480081

IUPAC2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O4/c1-20-6-5-9(11(17)18)16-12(19)15-8-4-2-3-7(13)10(8)14/h2-4,9H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHIMWZRKZWARORR-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.60
Rot. Bonds6

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

2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid (PubChem CID 62480081) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
PubChem CID62480081
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Name2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C12H14Cl2N2O4/c1-20-6-5-9(11(17)18)16-12(19)15-8-4-2-3-7(13)10(8)14/h2-4,9H,5-6H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHIMWZRKZWARORR-UHFFFAOYSA-N
XLogP2.60
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
2-[(3-bromo-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107627351
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107530131
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
2-[(2,3-dimethylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81086394
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
3-[(2,3-dichlorophenyl)carbamoylamino]butanoic acid
CID 61200387
2-[(2,3-dichlorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 3546923
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid (CID 62480081) is 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid is COCCC(NC(=O)Nc1cccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is HIMWZRKZWARORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-20-6-5-9(11(17)18)16-12(19)15-8-4-2-3-7(13)10(8)14/h2-4,9H,5-6H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid?
2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid has a molecular weight of 321.16 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62480081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).