2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid

C15H28N2O3 — CID 103496866

IUPAC2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)C(CNC(=O)C(C)C(C)C(=O)O)N1CCCC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(17-7-5-6-8-17)9-16-14(18)11(3)12(4)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyMOEXFGMSPOKOGZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.58
Rot. Bonds7

About 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid

2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid (PubChem CID 103496866) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
PubChem CID103496866
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)C(CNC(=O)C(C)C(C)C(=O)O)N1CCCC1
InChIInChI=1S/C15H28N2O3/c1-10(2)13(17-7-5-6-8-17)9-16-14(18)11(3)12(4)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyMOEXFGMSPOKOGZ-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 62639167
4-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 80543957
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457
2-(methylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 61276217
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
6-amino-2-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)heptanamide
CID 65292407
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 110402962
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid (CID 103496866) is 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid is CC(C)C(CNC(=O)C(C)C(C)C(=O)O)N1CCCC1.
What is the InChIKey of 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is MOEXFGMSPOKOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)13(17-7-5-6-8-17)9-16-14(18)11(3)12(4)15(19)20/h10-13H,5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103496866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).