3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid

C11H19NO3 — CID 62965956

IUPAC3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC(C)C1
InChIInChI=1S/C11H19NO3/c1-8-3-4-12(7-8)10(13)5-9(2)6-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyPRPKMYYMHCURRS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds4

About 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid

3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid (PubChem CID 62965956) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
PubChem CID62965956
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCC(C)C1
InChIInChI=1S/C11H19NO3/c1-8-3-4-12(7-8)10(13)5-9(2)6-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)
InChIKeyPRPKMYYMHCURRS-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 55157332
2-[1-(3-methylpentanoyl)pyrrolidin-3-yl]acetic acid
CID 114873775
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 104982251
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid (CID 62965956) is 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCC(C)C1.
What is the InChIKey of 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The InChIKey is PRPKMYYMHCURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-3-4-12(7-8)10(13)5-9(2)6-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 62965956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).