3-amino-3-(3-fluorophenyl)propanoic acid

C9H10FNO2 — CID 580128

IUPAC3-amino-3-(3-fluorophenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyGZNJUJNKZBHINS-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.30
Rot. Bonds3

About 3-amino-3-(3-fluorophenyl)propanoic acid

3-amino-3-(3-fluorophenyl)propanoic acid (PubChem CID 580128) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 3-amino-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-fluorophenyl)propanoic acid
PubChem CID580128
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name3-amino-3-(3-fluorophenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKeyGZNJUJNKZBHINS-UHFFFAOYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
methyl (3S)-3-amino-3-(3-fluorophenyl)propanoate
CID 7277827
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
3-amino-4-[1-(3-fluorophenyl)ethylamino]-4-oxobutanoic acid
CID 64894767
(3S)-3-amino-3-[3-(2,6-dimethylphenyl)-5-fluorophenyl]propanoic acid
CID 135366884
(3S)-3-amino-3-(3-amino-5-fluorophenyl)propanoic acid
CID 130744383
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
(3R)-3-amino-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 103693096
3-amino-3-(3-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 84790187
4,4-bis(3-fluorophenyl)-2-oxobutanamide
CID 59093514

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-fluorophenyl)propanoic acid (CID 580128) is 3-amino-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-fluorophenyl)propanoic acid is NC(CC(=O)O)c1cccc(F)c1.
What is the InChIKey of 3-amino-3-(3-fluorophenyl)propanoic acid?
The InChIKey is GZNJUJNKZBHINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13).
What are the key properties of 3-amino-3-(3-fluorophenyl)propanoic acid?
3-amino-3-(3-fluorophenyl)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 580128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).