1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

C9H16N2O4 — CID 114351672

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)C(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10(2)8(13)5-11-4-6(12)3-7(11)9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyQQRVMTPOFJVYIS-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.41
Rot. Bonds3

About 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351672) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351672
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)C(=O)CN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10(2)8(13)5-11-4-6(12)3-7(11)9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyQQRVMTPOFJVYIS-UHFFFAOYSA-N
XLogP-1.41
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330
4-hydroxy-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 114351482
(2S,4R)-1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841664
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
1-[2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351316
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
1-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441016
4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351372
4-hydroxy-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351773

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351672) is 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(C)C(=O)CN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is QQRVMTPOFJVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10(2)8(13)5-11-4-6(12)3-7(11)9(14)15/h6-7,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).