3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid

C20H23FN2O4 — CID 122010216

IUPAC3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCc1ccc(OCc2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C20H23FN2O4/c1-14(19(24)25)12-23(2)20(26)22-11-15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyISQQVYMXHLADKS-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.27
Rot. Bonds8

About 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid

3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122010216) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122010216
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)NCc1ccc(OCc2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C20H23FN2O4/c1-14(19(24)25)12-23(2)20(26)22-11-15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyISQQVYMXHLADKS-UHFFFAOYSA-N
XLogP3.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic 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

3-[[4-(3-methoxypropoxy)phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122013930
3-[(4-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 106900482
3-[(2-ethylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 64694951
(2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-3-hydroxy-N,N-dimethylpropanamide
CID 54327325
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]-N-methylpropanamide
CID 10064347
3-[(3-fluorophenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 55007271
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
2-cyano-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]acetamide
CID 20991735
2-methyl-3-[methyl(2-phenoxypropylcarbamoyl)amino]propanoic acid
CID 122002162
bis((2S)-2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide);methanesulfonic acid;hydrate
CID 54596588
2-methyl-3-[methyl-[(3-methylphenyl)methylcarbamoyl]amino]propanoic acid
CID 55007666
3-[1-benzofuran-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122002286

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 122010216) is 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)NCc1ccc(OCc2ccccc2F)cc1)C(=O)O.
What is the InChIKey of 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is ISQQVYMXHLADKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-14(19(24)25)12-23(2)20(26)22-11-15-7-9-17(10-8-15)27-13-16-5-3-4-6-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid?
3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 374.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122010216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).