(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 122112028

IUPAC(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCc1cnccc1C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-3-10-6-15-5-4-11(10)13(17)16-7-9(2)12(8-16)14(18)19/h4-6,9,12H,3,7-8H2,1-2H3,(H,18,19)/t9-,12-/m1/s1
InChIKeyUDEZUWRSLVEQFU-BXKDBHETSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds3

About (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 122112028) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID122112028
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCCc1cnccc1C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-3-10-6-15-5-4-11(10)13(17)16-7-9(2)12(8-16)14(18)19/h4-6,9,12H,3,7-8H2,1-2H3,(H,18,19)/t9-,12-/m1/s1
InChIKeyUDEZUWRSLVEQFU-BXKDBHETSA-N
XLogP1.44
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 104669654
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
1-(2-fluorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55228026
(3S)-N-ethyl-1-(3-ethylpyridine-4-carbonyl)piperidine-3-carboxamide
CID 97336628
(3-amino-4-methylpyrrolidin-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 103576007
(3S,4S)-1-(2,5-dichlorobenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085408
(3S,4S)-4-methyl-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952979
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid (CID 122112028) is (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is CCc1cnccc1C(=O)N1C[C@@H](C)[C@H](C(=O)O)C1.
What is the InChIKey of (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UDEZUWRSLVEQFU-BXKDBHETSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-10-6-15-5-4-11(10)13(17)16-7-9(2)12(8-16)14(18)19/h4-6,9,12H,3,7-8H2,1-2H3,(H,18,19)/t9-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122112028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).