2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid

C13H18N2O3 — CID 82820939

IUPAC2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
SMILESCc1cccc(CN(C)C(=O)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H18N2O3/c1-9-6-5-7-10(14-9)8-15(4)11(16)13(2,3)12(17)18/h5-7H,8H2,1-4H3,(H,17,18)
InChIKeyLPPZKNKRBFQTRW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.46
Rot. Bonds4

About 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid

2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid (PubChem CID 82820939) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
PubChem CID82820939
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
SMILESCc1cccc(CN(C)C(=O)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H18N2O3/c1-9-6-5-7-10(14-9)8-15(4)11(16)13(2,3)12(17)18/h5-7H,8H2,1-4H3,(H,17,18)
InChIKeyLPPZKNKRBFQTRW-UHFFFAOYSA-N
XLogP1.46
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
ethane;N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 143432699
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
2-ethoxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 79018444
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 115684547
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
CID 79261215
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 142111486
3,4-dihydroxy-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103957226
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
2-methyl-2-[methyl-[(6-methyl-2-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55123424
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylbenzamide
CID 107032638

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid (CID 82820939) is 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid is Cc1cccc(CN(C)C(=O)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid?
The InChIKey is LPPZKNKRBFQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-5-7-10(14-9)8-15(4)11(16)13(2,3)12(17)18/h5-7H,8H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid?
2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 82820939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).