(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid

C9H11FN2O2 — CID 130625917

IUPAC(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
SMILESNc1ccc([C@H](N)CC(=O)O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c10-7-3-5(11)1-2-6(7)8(12)4-9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyOQDSDHGRWHRYJT-MRVPVSSYSA-N
MW198.20 g/mol
LogP0.88
Rot. Bonds3

About (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid

(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid (PubChem CID 130625917) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
PubChem CID130625917
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid
SMILESNc1ccc([C@H](N)CC(=O)O)c(F)c1
InChIInChI=1S/C9H11FN2O2/c10-7-3-5(11)1-2-6(7)8(12)4-9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1
InChIKeyOQDSDHGRWHRYJT-MRVPVSSYSA-N
XLogP0.88
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130664329
2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
(3S)-3-amino-3-[5-amino-2-(difluoromethoxy)phenyl]propanoic acid
CID 97035652
(3R)-3-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 55270420
(3R)-3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 131501143
3-amino-3-(2-bromo-4,5-difluorophenyl)propanoic acid
CID 117449258
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(3S)-3-amino-3-[4-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 79015985
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoic acid;hydrochloride
CID 162344141
3-amino-3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 117319388
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
CID 91844833

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid (CID 130625917) is (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid is Nc1ccc([C@H](N)CC(=O)O)c(F)c1.
What is the InChIKey of (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid?
The InChIKey is OQDSDHGRWHRYJT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-7-3-5(11)1-2-6(7)8(12)4-9(13)14/h1-3,8H,4,11-12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid?
(3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-amino-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 130625917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).