4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid

C13H17FN2O5 — CID 103159652

IUPAC4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOc1ccc(F)c(NC(=O)NCC(CC(=O)O)OC)c1
InChIInChI=1S/C13H17FN2O5/c1-20-8-3-4-10(14)11(5-8)16-13(19)15-7-9(21-2)6-12(17)18/h3-5,9H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLSHKGMLNQUSNHE-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.45
Rot. Bonds7

About 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid

4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid (PubChem CID 103159652) has the molecular formula C13H17FN2O5 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
PubChem CID103159652
Molecular FormulaC13H17FN2O5
Molecular Weight300.29 g/mol
Exact Mass300.11
IUPAC Name4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
SMILESCOc1ccc(F)c(NC(=O)NCC(CC(=O)O)OC)c1
InChIInChI=1S/C13H17FN2O5/c1-20-8-3-4-10(14)11(5-8)16-13(19)15-7-9(21-2)6-12(17)18/h3-5,9H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyLSHKGMLNQUSNHE-UHFFFAOYSA-N
XLogP1.45
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2-fluorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158599
4-[(4-bromo-2,5-difluorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 107614382
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
3-methoxy-4-(phenylcarbamoylamino)butanoic acid
CID 103153417
4-[(2-ethylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103158478
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
3-methoxy-4-[(4-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 103158329
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
CID 119788930
3-methoxy-4-[[(4-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 103159199
4-[(2,6-dichlorophenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159557
4-[(2-bromo-3-methylphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159735
3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid (CID 103159652) is 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid is COc1ccc(F)c(NC(=O)NCC(CC(=O)O)OC)c1.
What is the InChIKey of 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid?
The InChIKey is LSHKGMLNQUSNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O5/c1-20-8-3-4-10(14)11(5-8)16-13(19)15-7-9(21-2)6-12(17)18/h3-5,9H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid?
4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid has a molecular weight of 300.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid is sourced from PubChem (CID 103159652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).