4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 114351773

IUPAC4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CN2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-3-2-4-14(6-9)12(17)8-15-7-10(16)5-11(15)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19)
InChIKeyWFPBBRQTVLSBIZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.24
Rot. Bonds3

About 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351773) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID114351773
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CN2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-9-3-2-4-14(6-9)12(17)8-15-7-10(16)5-11(15)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19)
InChIKeyWFPBBRQTVLSBIZ-UHFFFAOYSA-N
XLogP-0.24
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(3-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55260359
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 63768732
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63625992
(2S,4S)-4-hydroxy-1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 64713242
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
methyl 4-hydroxy-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971683
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
4-hydroxy-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 114351690
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 114351773) is 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is CC1CCCN(C(=O)CN2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WFPBBRQTVLSBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-3-2-4-14(6-9)12(17)8-15-7-10(16)5-11(15)13(18)19/h9-11,16H,2-8H2,1H3,(H,18,19).
What are the key properties of 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).