(2S)-2-amino-2-phenylpropanoic acid

C9H11NO2 — CID 853461

IUPAC(2S)-2-amino-2-phenylpropanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyHTCSFFGLRQDZDE-VIFPVBQESA-N
MW165.19 g/mol
LogP0.95
Rot. Bonds2

About (2S)-2-amino-2-phenylpropanoic acid

(2S)-2-amino-2-phenylpropanoic acid (PubChem CID 853461) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylpropanoic acid
PubChem CID853461
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2S)-2-amino-2-phenylpropanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyHTCSFFGLRQDZDE-VIFPVBQESA-N
XLogP0.95
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 ≤ 50.95
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-phenylpropanoic acid?
The IUPAC name of (2S)-2-amino-2-phenylpropanoic acid (CID 853461) is (2S)-2-amino-2-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-2-phenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-2-phenylpropanoic acid is C[C@@](N)(C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-amino-2-phenylpropanoic acid?
The InChIKey is HTCSFFGLRQDZDE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-phenylpropanoic acid?
(2S)-2-amino-2-phenylpropanoic acid has a molecular weight of 165.19 g/mol, XLogP of 0.95, 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-phenylpropanoic acid is sourced from PubChem (CID 853461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).