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

C13H20N2O4 — CID 67559512

IUPAC(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@@H](Cc1ccccc1)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO2.C3H7NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;1-2(4)3(5)6/h2-6,9,11H,7H2,1H3,(H,12,13);2H,4H2,1H3,(H,5,6)/t9-;2-/m00/s1
InChIKeySYSGRPUQLICKBH-HRDPVCSZSA-N
MW268.31 g/mol
LogP0.32
Rot. Bonds5

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

(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid (PubChem CID 67559512) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
PubChem CID67559512
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
SMILESCN[C@@H](Cc1ccccc1)C(=O)O.C[C@H](N)C(=O)O
InChIInChI=1S/C10H13NO2.C3H7NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;1-2(4)3(5)6/h2-6,9,11H,7H2,1H3,(H,12,13);2H,4H2,1H3,(H,5,6)/t9-;2-/m00/s1
InChIKeySYSGRPUQLICKBH-HRDPVCSZSA-N
XLogP0.32
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 104902011
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid (CID 67559512) is (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid is CN[C@@H](Cc1ccccc1)C(=O)O.C[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid?
The InChIKey is SYSGRPUQLICKBH-HRDPVCSZSA-N. The full InChI is InChI=1S/C10H13NO2.C3H7NO2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;1-2(4)3(5)6/h2-6,9,11H,7H2,1H3,(H,12,13);2H,4H2,1H3,(H,5,6)/t9-;2-/m00/s1.
What are the key properties of (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid?
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 67559512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).