(2S)-2-amino-2-(4-methylphenyl)acetic acid

C9H11NO2 — CID 7020729

IUPAC(2S)-2-amino-2-(4-methylphenyl)acetic acid
SMILESCc1ccc([C@H](N)C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyRZRRCPHBUKHOEY-QMMMGPOBSA-N
MW165.19 g/mol
LogP1.08
Rot. Bonds2

About (2S)-2-amino-2-(4-methylphenyl)acetic acid

(2S)-2-amino-2-(4-methylphenyl)acetic acid (PubChem CID 7020729) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-methylphenyl)acetic acid
PubChem CID7020729
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2S)-2-amino-2-(4-methylphenyl)acetic acid
SMILESCc1ccc([C@H](N)C(=O)O)cc1
InChIInChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyRZRRCPHBUKHOEY-QMMMGPOBSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-methylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(4-methylphenyl)acetic acid (CID 7020729) is (2S)-2-amino-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-methylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(4-methylphenyl)acetic acid is Cc1ccc([C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S)-2-amino-2-(4-methylphenyl)acetic acid?
The InChIKey is RZRRCPHBUKHOEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-methylphenyl)acetic acid?
(2S)-2-amino-2-(4-methylphenyl)acetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 7020729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).