(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H17N3O4 — CID 64714936

IUPAC(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O4/c1-15(2)11-5-8(3-4-14-11)12(18)16-7-9(17)6-10(16)13(19)20/h3-5,9-10,17H,6-7H2,1-2H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyRVPXAETYSSXGOC-UWVGGRQHSA-N
MW279.30 g/mol
LogP-0.19
Rot. Bonds3

About (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 64714936) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID64714936
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)ccn1
InChIInChI=1S/C13H17N3O4/c1-15(2)11-5-8(3-4-14-11)12(18)16-7-9(17)6-10(16)13(19)20/h3-5,9-10,17H,6-7H2,1-2H3,(H,19,20)/t9-,10-/m0/s1
InChIKeyRVPXAETYSSXGOC-UWVGGRQHSA-N
XLogP-0.19
TPSA93.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
(2S,4S)-1-(3,4-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30073924
[2-(dimethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764357
(2S)-1-(3,4-difluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153392
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
1-(6-chloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356769
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2R,4R)-4-hydroxy-1-(4-methylsulfanylbenzoyl)pyrrolidine-2-carboxylic acid
CID 79000986
(2R,4R)-1-(3,5-dimethoxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045466

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 64714936) is (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(C)c1cc(C(=O)N2C[C@@H](O)C[C@H]2C(=O)O)ccn1.
What is the InChIKey of (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RVPXAETYSSXGOC-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15(2)11-5-8(3-4-14-11)12(18)16-7-9(17)6-10(16)13(19)20/h3-5,9-10,17H,6-7H2,1-2H3,(H,19,20)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(dimethylamino)pyridine-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 64714936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).