(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid

C9H10FNO2 — CID 23234194

IUPAC(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
SMILESN[C@H](C(=O)O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyHECUEIAXNNOLLY-SFYZADRCSA-N
MW183.18 g/mol
LogP1.11
Rot. Bonds3

About (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid

(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid (PubChem CID 23234194) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
PubChem CID23234194
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
SMILESN[C@H](C(=O)O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyHECUEIAXNNOLLY-SFYZADRCSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
CID 13182012
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
2-amino-3-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
(2S)-2-amino-3-iodo-3-phenylpropanoic acid
CID 69344520
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid?
The IUPAC name of (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid (CID 23234194) is (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid.
What is the SMILES notation for (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid?
The canonical SMILES for (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid is N[C@H](C(=O)O)[C@H](F)c1ccccc1.
What is the InChIKey of (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid?
The InChIKey is HECUEIAXNNOLLY-SFYZADRCSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid?
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid has a molecular weight of 183.18 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid is sourced from PubChem (CID 23234194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).