4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C15H20N2O3 — CID 103497568

IUPAC4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-10(11(2)15(19)20)14(18)17(13-5-6-13)9-12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMEPUHSRDNOQKSQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds6

About 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103497568) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103497568
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-10(11(2)15(19)20)14(18)17(13-5-6-13)9-12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMEPUHSRDNOQKSQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
4-[(4-chlorophenyl)methyl-cyclopropylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497654
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51096504
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 154840056

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103497568) is 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is MEPUHSRDNOQKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(11(2)15(19)20)14(18)17(13-5-6-13)9-12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103497568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).