2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid

C13H18N2O3 — CID 171648358

IUPAC2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid
SMILESCc1[nH]c(=O)c(C)cc1C1CCCN1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-6-10(9(2)14-13(8)18)11-4-3-5-15(11)7-12(16)17/h6,11H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMMIRLWBDYNRNKG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.21
Rot. Bonds3

About 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid

2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 171648358) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid
PubChem CID171648358
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid
SMILESCc1[nH]c(=O)c(C)cc1C1CCCN1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-6-10(9(2)14-13(8)18)11-4-3-5-15(11)7-12(16)17/h6,11H,3-5,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMMIRLWBDYNRNKG-UHFFFAOYSA-N
XLogP1.21
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[6-(5-methyl-1H-pyrazol-4-yl)-4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetic acid
CID 136603245
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
CID 25247982
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
CID 42614535
4-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124564407
2-[2-[4-(4-methoxyphenoxy)phenyl]pyrrolidin-1-yl]acetic acid
CID 24845352
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
3-[(2R)-2-(4,5-dimethylthiophen-2-yl)pyrrolidin-1-yl]propanoic acid
CID 42576574
2-[2-(4-pyridin-4-ylphenyl)piperidin-1-yl]acetic acid
CID 54069668
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid (CID 171648358) is 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid is Cc1[nH]c(=O)c(C)cc1C1CCCN1CC(=O)O.
What is the InChIKey of 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is MMIRLWBDYNRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-10(9(2)14-13(8)18)11-4-3-5-15(11)7-12(16)17/h6,11H,3-5,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid?
2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethyl-6-oxo-1H-pyridin-3-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 171648358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).