2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid

C12H14FNO5 — CID 81077110

IUPAC2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)COc1ccccc1F)C(=O)O
InChIInChI=1S/C12H14FNO5/c1-18-6-9(12(16)17)14-11(15)7-19-10-5-3-2-4-8(10)13/h2-5,9H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYKIKQAUKXVDKTR-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.42
Rot. Bonds7

About 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid

2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid (PubChem CID 81077110) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
PubChem CID81077110
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)COc1ccccc1F)C(=O)O
InChIInChI=1S/C12H14FNO5/c1-18-6-9(12(16)17)14-11(15)7-19-10-5-3-2-4-8(10)13/h2-5,9H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyYKIKQAUKXVDKTR-UHFFFAOYSA-N
XLogP0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307164
2-[[2-(2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 78910308
(2S)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 61145013
(2R)-5-amino-2-[[2-(2-fluorophenoxy)acetyl]amino]-5-oxopentanoic acid
CID 107829798
methyl 2-[[2-(2-fluorophenoxy)acetyl]amino]-4-methylpentanoate
CID 43404277
(2S,3S)-2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methylpentanoic acid
CID 61131464
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-(2-fluorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719194
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
2-[(2-fluorophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81076673
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid (CID 81077110) is 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)COc1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
The InChIKey is YKIKQAUKXVDKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-18-6-9(12(16)17)14-11(15)7-19-10-5-3-2-4-8(10)13/h2-5,9H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid?
2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)acetyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81077110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).