3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

C19H20FNO4 — CID 3934367

IUPAC3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySOFQXERJWDXQTP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.56
Rot. Bonds7

About 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid

3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 3934367) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID3934367
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H20FNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeySOFQXERJWDXQTP-UHFFFAOYSA-N
XLogP3.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-phenyl-3-[(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 40514082
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 3927464
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(3R)-3-(4-ethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
CID 717563
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
(3R)-3-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonylamino)propanoic acid
CID 1263207
(3S)-3-[[(2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 9406045
cyanomethyl (3R)-3-benzamido-3-(4-propan-2-yloxyphenyl)propanoate
CID 7310458

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 3934367) is 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(CC(=O)O)NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is SOFQXERJWDXQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid?
3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 345.37 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 3934367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).