(4-fluorophenyl)methyl (2R)-2-aminopropanoate

C10H12FNO2 — CID 94254370

IUPAC(4-fluorophenyl)methyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3/t7-/m1/s1
InChIKeyPBLITKULKIWCLX-SSDOTTSWSA-N
MW197.21 g/mol
LogP1.22
Rot. Bonds3

About (4-fluorophenyl)methyl (2R)-2-aminopropanoate

(4-fluorophenyl)methyl (2R)-2-aminopropanoate (PubChem CID 94254370) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (4-fluorophenyl)methyl (2R)-2-aminopropanoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl (2R)-2-aminopropanoate
PubChem CID94254370
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(4-fluorophenyl)methyl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3/t7-/m1/s1
InChIKeyPBLITKULKIWCLX-SSDOTTSWSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate
CID 174846424
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
benzyl (2S)-2-aminopropanoate
CID 726858
(4-fluorophenyl)methyl acetate
CID 14793785
(4-fluorophenyl)methyl (2S)-2-(4-fluoroanilino)propanoate
CID 57047709
(4-nitrophenyl)methyl (2S)-2-aminopropanoate;hydrobromide
CID 15924095
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
(4-nitrophenyl)methyl (2R)-2-aminopropanoate;hydrobromide
CID 56845406
(4-fluorophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 3559613
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl (2R)-2-aminopropanoate?
The IUPAC name of (4-fluorophenyl)methyl (2R)-2-aminopropanoate (CID 94254370) is (4-fluorophenyl)methyl (2R)-2-aminopropanoate.
What is the SMILES notation for (4-fluorophenyl)methyl (2R)-2-aminopropanoate?
The canonical SMILES for (4-fluorophenyl)methyl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl (2R)-2-aminopropanoate?
The InChIKey is PBLITKULKIWCLX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(12)10(13)14-6-8-2-4-9(11)5-3-8/h2-5,7H,6,12H2,1H3/t7-/m1/s1.
What are the key properties of (4-fluorophenyl)methyl (2R)-2-aminopropanoate?
(4-fluorophenyl)methyl (2R)-2-aminopropanoate has a molecular weight of 197.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl (2R)-2-aminopropanoate is sourced from PubChem (CID 94254370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).