(2S)-2-(methylamino)-3-phenylpropanoic acid

C10H13NO2 — CID 6951135

IUPAC(2S)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeySCIFESDRCALIIM-VIFPVBQESA-N
MW179.22 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-(methylamino)-3-phenylpropanoic acid

(2S)-2-(methylamino)-3-phenylpropanoic acid (PubChem CID 6951135) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-phenylpropanoic acid
PubChem CID6951135
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2S)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeySCIFESDRCALIIM-VIFPVBQESA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid;sulfane
CID 160604055
3-(4-bromophenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 167716194
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-phenylpropanoic acid (CID 6951135) is (2S)-2-(methylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-phenylpropanoic acid is CN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-phenylpropanoic acid?
The InChIKey is SCIFESDRCALIIM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-phenylpropanoic acid?
(2S)-2-(methylamino)-3-phenylpropanoic acid has a molecular weight of 179.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 6951135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).