2-amino-3-[(2-methylphenyl)methylamino]propanoic acid

C11H16N2O2 — CID 64583841

IUPAC2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccccc1CNCC(N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-4-2-3-5-9(8)6-13-7-10(12)11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyJVSQNKDUPXGRHY-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.50
Rot. Bonds5

About 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid

2-amino-3-[(2-methylphenyl)methylamino]propanoic acid (PubChem CID 64583841) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
PubChem CID64583841
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
SMILESCc1ccccc1CNCC(N)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-4-2-3-5-9(8)6-13-7-10(12)11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15)
InChIKeyJVSQNKDUPXGRHY-UHFFFAOYSA-N
XLogP0.50
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid
CID 115240689
2-amino-3-[(5-tert-butyl-2-methylphenyl)methylamino]propanoic acid
CID 115240661
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
2-amino-3-(1,3-benzodioxol-4-ylmethylamino)propanoic acid
CID 103243083
ethane;(3S)-3-[(2-methylphenyl)methylamino]butan-2-one
CID 90780067
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 22691003
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
methanesulfonic acid;1-(2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 173322724

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid (CID 64583841) is 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid is Cc1ccccc1CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid?
The InChIKey is JVSQNKDUPXGRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-4-2-3-5-9(8)6-13-7-10(12)11(14)15/h2-5,10,13H,6-7,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid?
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 64583841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).