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

C14H20N2O3 — CID 107147232

IUPAC3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
SMILESCc1cccnc1CC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)7-12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLLNTZOPUDSUXNP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.41
Rot. Bonds6

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

3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid (PubChem CID 107147232) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
PubChem CID107147232
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid
SMILESCc1cccnc1CC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)7-12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLLNTZOPUDSUXNP-UHFFFAOYSA-N
XLogP1.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxybutyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148270
N-(2-amino-2-cyclopropylethyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148527
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
N-(2,3-dihydroxy-2-methylpropyl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148243
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanedioic acid
CID 107147287
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]-2-phenylacetic acid
CID 107147088
N-(1-aminopropan-2-yl)-2-(3-methyl-2-pyridinyl)acetamide
CID 107148434
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
2-[[(2,3-dimethylbenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220216
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid (CID 107147232) is 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid is Cc1cccnc1CC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid?
The InChIKey is LLNTZOPUDSUXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)11(14(18)19)8-16-13(17)7-12-10(3)5-4-6-15-12/h4-6,9,11H,7-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid?
3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 107147232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).