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

C12H16N2O3 — CID 107147133

IUPAC3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1cccnc1CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-9-4-3-6-13-10(9)8-11(15)14(2)7-5-12(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,16,17)
InChIKeyHGQVINQMQGLICT-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.87
Rot. Bonds5

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

3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 107147133) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
PubChem CID107147133
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1cccnc1CC(=O)N(C)CCC(=O)O
InChIInChI=1S/C12H16N2O3/c1-9-4-3-6-13-10(9)8-11(15)14(2)7-5-12(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,16,17)
InChIKeyHGQVINQMQGLICT-UHFFFAOYSA-N
XLogP0.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 90650041
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 39175642
3-[(3-methyl-2-pyridinyl)methylsulfinyl]propanoic acid
CID 112651143
methyl 2-[[2-(3-methyl-2-pyridinyl)acetyl]-propan-2-ylamino]acetate
CID 107148632

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid (CID 107147133) is 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid is Cc1cccnc1CC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is HGQVINQMQGLICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-4-3-6-13-10(9)8-11(15)14(2)7-5-12(16)17/h3-4,6H,5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid?
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 107147133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).