4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid

C14H20N2O3 — CID 121496087

IUPAC4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
SMILESCc1ccnc(CC(C)N(C)C(=O)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-15-12(8-10)9-11(2)16(3)13(17)4-5-14(18)19/h6-8,11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLKIFFPUFANELIN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds6

About 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid

4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 121496087) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
PubChem CID121496087
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
SMILESCc1ccnc(CC(C)N(C)C(=O)CCC(=O)O)c1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-15-12(8-10)9-11(2)16(3)13(17)4-5-14(18)19/h6-8,11H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyLKIFFPUFANELIN-UHFFFAOYSA-N
XLogP1.64
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 46997117
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393
3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126444492
N,1-dimethyl-3-(2-methylpropyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-5-carboxamide
CID 96579908
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126427606
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 119060969
5-(difluoromethyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 126439688
N-methyl-4-(1-methylimidazol-2-yl)-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 119071482
N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447505
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid (CID 121496087) is 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid is Cc1ccnc(CC(C)N(C)C(=O)CCC(=O)O)c1.
What is the InChIKey of 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is LKIFFPUFANELIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-15-12(8-10)9-11(2)16(3)13(17)4-5-14(18)19/h6-8,11H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid?
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 121496087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).