2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid

C11H12ClFN2O4 — CID 81084747

IUPAC2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFN2O4/c1-19-5-9(10(16)17)15-11(18)14-8-3-2-6(13)4-7(8)12/h2-4,9H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYBHMPMIYBLDYSL-UHFFFAOYSA-N
MW290.68 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid

2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81084747) has the molecular formula C11H12ClFN2O4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81084747
Molecular FormulaC11H12ClFN2O4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccc(F)cc1Cl)C(=O)O
InChIInChI=1S/C11H12ClFN2O4/c1-19-5-9(10(16)17)15-11(18)14-8-3-2-6(13)4-7(8)12/h2-4,9H,5H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyYBHMPMIYBLDYSL-UHFFFAOYSA-N
XLogP1.70
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-5-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 107530131
2-[(2-chloro-5-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 107529838
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
2-[(3,4-dichlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076508
2-[(5-bromo-2-chlorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081569
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62474332
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307348
2-[(2-cyano-4-fluorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 82683479

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid (CID 81084747) is 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)Nc1ccc(F)cc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is YBHMPMIYBLDYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O4/c1-19-5-9(10(16)17)15-11(18)14-8-3-2-6(13)4-7(8)12/h2-4,9H,5H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 290.68 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81084747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).