3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid

C10H10FNO4 — CID 155055621

IUPAC3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)NCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO4/c11-7-3-1-6(2-4-7)8(9(13)14)5-12-10(15)16/h1-4,8,12H,5H2,(H,13,14)(H,15,16)
InChIKeyWSDAMHBDHVLUTG-UHFFFAOYSA-N
MW227.19 g/mol
LogP1.26
Rot. Bonds4

About 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid

3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid (PubChem CID 155055621) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
PubChem CID155055621
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)NCC(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO4/c11-7-3-1-6(2-4-7)8(9(13)14)5-12-10(15)16/h1-4,8,12H,5H2,(H,13,14)(H,15,16)
InChIKeyWSDAMHBDHVLUTG-UHFFFAOYSA-N
XLogP1.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
[(2S)-2-(4-fluorophenyl)-4-hydroxybutyl]carbamic acid
CID 69407368
(2S)-3-(3-fluoroanilino)-2-(4-fluorophenyl)propanoic acid
CID 118033455
3-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 136549517
(2S)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-(4-fluorophenyl)propanoic acid
CID 129467974
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788
2-(4-fluorophenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112517412
2-(4-fluorophenyl)hex-5-ynoic acid
CID 79434370
2-(4-fluorophenyl)heptanoic acid
CID 79435490
3-ethoxy-2-(4-fluorophenyl)propanoic acid
CID 103984158
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-(4-fluorophenyl)-3-(5-methylfuran-2-yl)propanoic acid
CID 82161384

Frequently Asked Questions

What is the IUPAC name of 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid (CID 155055621) is 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid is O=C(O)NCC(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is WSDAMHBDHVLUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO4/c11-7-3-1-6(2-4-7)8(9(13)14)5-12-10(15)16/h1-4,8,12H,5H2,(H,13,14)(H,15,16).
What are the key properties of 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid?
3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 227.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxyamino)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 155055621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).