2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid

C15H20N2O3 — CID 160943438

IUPAC2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid
SMILESCCN1CC[C@H](CCCc2cc(C(=O)O)ccn2)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-17-9-7-11(14(17)18)4-3-5-13-10-12(15(19)20)6-8-16-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeySUUPNIIJXVCNML-NSHDSACASA-N
MW276.34 g/mol
LogP1.97
Rot. Bonds6

About 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid

2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid (PubChem CID 160943438) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid
PubChem CID160943438
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid
SMILESCCN1CC[C@H](CCCc2cc(C(=O)O)ccn2)C1=O
InChIInChI=1S/C15H20N2O3/c1-2-17-9-7-11(14(17)18)4-3-5-13-10-12(15(19)20)6-8-16-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeySUUPNIIJXVCNML-NSHDSACASA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]pyridine-4-carboxylic acid
CID 148828377
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid
CID 158494780
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
2-[[(2,3-dimethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325286
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid (CID 160943438) is 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid is CCN1CC[C@H](CCCc2cc(C(=O)O)ccn2)C1=O.
What is the InChIKey of 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid?
The InChIKey is SUUPNIIJXVCNML-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17-9-7-11(14(17)18)4-3-5-13-10-12(15(19)20)6-8-16-13/h6,8,10-11H,2-5,7,9H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid?
2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160943438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).