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

C11H13FN2O4 — CID 81076673

IUPAC2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-6-9(10(15)16)14-11(17)13-8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWOLCCRLHIJXYOS-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.05
Rot. Bonds5

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

2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81076673) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81076673
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)Nc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FN2O4/c1-18-6-9(10(15)16)14-11(17)13-8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyWOLCCRLHIJXYOS-UHFFFAOYSA-N
XLogP1.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084615
2-[(2-tert-butylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085564
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
2-[(3-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81077248
2-[(2-chloro-4-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81084747
2-[(4-bromo-2,6-difluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81080994
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077110
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-[(5-chloro-2-fluorophenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084402
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid (CID 81076673) is 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)Nc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is WOLCCRLHIJXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-18-6-9(10(15)16)14-11(17)13-8-5-3-2-4-7(8)12/h2-5,9H,6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid?
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 256.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81076673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).