(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid

C9H10FNO2 — CID 130997783

IUPAC(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
SMILESCc1cccc(F)c1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-5-3-2-4-6(10)7(5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyNWCCCXPEDFUQCU-MRVPVSSYSA-N
MW183.18 g/mol
LogP1.22
Rot. Bonds2

About (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid

(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid (PubChem CID 130997783) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
PubChem CID130997783
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
SMILESCc1cccc(F)c1[C@@H](N)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-5-3-2-4-6(10)7(5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyNWCCCXPEDFUQCU-MRVPVSSYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
(2S)-2-amino-2-[2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66512908
2-(2-fluoro-6-methylphenyl)-2-hydroxyacetohydrazide
CID 163953467
2,4-bis(2,6-dimethylphenyl)-3-oxopentanedioic acid
CID 57218099
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111
2-amino-2-(2,6-difluoro-3-methylsulfanylphenyl)acetic acid
CID 117337661
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
2-amino-2-(2,7-dimethyl-1-benzothiophen-3-yl)acetic acid
CID 115073121
2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
CID 115072838
4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid (CID 130997783) is (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid is Cc1cccc(F)c1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid?
The InChIKey is NWCCCXPEDFUQCU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-3-2-4-6(10)7(5)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid?
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid has a molecular weight of 183.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid is sourced from PubChem (CID 130997783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).