(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid

C10H12FNO2 — CID 42329482

IUPAC(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
SMILESNC[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
InChIKeyWZCLOOIHOICGMS-MRVPVSSYSA-N
MW197.21 g/mol
LogP1.03
Rot. Bonds4

About (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid

(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 42329482) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
PubChem CID42329482
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
SMILESNC[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
InChIKeyWZCLOOIHOICGMS-MRVPVSSYSA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-[(2-fluorophenyl)methyl]-4-oxopentanoic acid
CID 159454907
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
2-[(2-fluorophenyl)methyl]-5-hydroxypentanoic acid
CID 79419065
2-[(2-fluorophenyl)methyl]-5-methylhexanoic acid
CID 60793786
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)propanoic acid
CID 60793481
2-(acetylsulfanylmethyl)-3-(2-fluorophenyl)propanoic acid
CID 19604203
(5S)-5-amino-2-[(2-fluorophenyl)methyl]-6-methyl-4-oxoheptanoic acid
CID 158593850
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
2-[(2-fluorophenyl)methyl]-5-methylhex-5-enoic acid
CID 114473256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid (CID 42329482) is (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid is NC[C@@H](Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is WZCLOOIHOICGMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid?
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 42329482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).