2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid

C10H15N3O2 — CID 64584052

IUPAC2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
SMILESCc1ccc(CNCC(N)C(=O)O)cn1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-8(5-13-7)4-12-6-9(11)10(14)15/h2-3,5,9,12H,4,6,11H2,1H3,(H,14,15)
InChIKeyBCFVFCUBJGFCGT-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.11
Rot. Bonds5

About 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid

2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid (PubChem CID 64584052) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
PubChem CID64584052
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
SMILESCc1ccc(CNCC(N)C(=O)O)cn1
InChIInChI=1S/C10H15N3O2/c1-7-2-3-8(5-13-7)4-12-6-9(11)10(14)15/h2-3,5,9,12H,4,6,11H2,1H3,(H,14,15)
InChIKeyBCFVFCUBJGFCGT-UHFFFAOYSA-N
XLogP-0.11
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
3-hydroxy-4-[(6-methyl-3-pyridinyl)methylamino]butanoic acid
CID 103250585
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
2-amino-3-[(4-ethylsulfanylphenyl)methylamino]propanoic acid
CID 115240702
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
2-amino-3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
CID 64583436
3-methyl-2-[[(6-methyl-3-pyridinyl)methylcarbamoylamino]methyl]butanoic acid
CID 65226600
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125
2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
CID 115240733
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
CID 175233983

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid?
The IUPAC name of 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid (CID 64584052) is 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid is Cc1ccc(CNCC(N)C(=O)O)cn1.
What is the InChIKey of 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid?
The InChIKey is BCFVFCUBJGFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-2-3-8(5-13-7)4-12-6-9(11)10(14)15/h2-3,5,9,12H,4,6,11H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid?
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 64584052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).