5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid

C12H21NO3 — CID 79187870

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C12H21NO3/c1-8(5-12(15)16)4-11(14)13-6-9(2)10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFAXVZGVKPDLBNS-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.60
Rot. Bonds4

About 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid

5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 79187870) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
PubChem CID79187870
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C12H21NO3/c1-8(5-12(15)16)4-11(14)13-6-9(2)10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyFAXVZGVKPDLBNS-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 55157332
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 79674093
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
strontium;hydride;3-methylpentanedioic acid
CID 173490798
3-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-5-oxopentanoic acid
CID 104933526
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
5-(2,2-dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 62964019

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid (CID 79187870) is 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CC(C)C(C)C1.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is FAXVZGVKPDLBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(5-12(15)16)4-11(14)13-6-9(2)10(3)7-13/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid?
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 79187870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).