(2S)-2-(methylamino)-2-phenylacetic acid

C9H11NO2 — CID 681675

IUPAC(2S)-2-(methylamino)-2-phenylacetic acid
SMILESCN[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1
InChIKeyHGIPIEYZJPULIQ-QMMMGPOBSA-N
MW165.19 g/mol
LogP1.03
Rot. Bonds3

About (2S)-2-(methylamino)-2-phenylacetic acid

(2S)-2-(methylamino)-2-phenylacetic acid (PubChem CID 681675) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2S)-2-(methylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-2-phenylacetic acid
PubChem CID681675
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(2S)-2-(methylamino)-2-phenylacetic acid
SMILESCN[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1
InChIKeyHGIPIEYZJPULIQ-QMMMGPOBSA-N
XLogP1.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(methylamino)-2-phenylacetic acid (CID 681675) is (2S)-2-(methylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(methylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(methylamino)-2-phenylacetic acid is CN[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-2-phenylacetic acid?
The InChIKey is HGIPIEYZJPULIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-8(9(11)12)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-2-phenylacetic acid?
(2S)-2-(methylamino)-2-phenylacetic acid has a molecular weight of 165.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-2-phenylacetic acid is sourced from PubChem (CID 681675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).