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

C9H18N2O3 — CID 114351458

IUPAC1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)CCN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-10(2)3-4-11-6-7(12)5-8(11)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUSDCLOBDGKXLSH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.93
Rot. Bonds4

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

1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351458) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351458
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C)CCN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H18N2O3/c1-10(2)3-4-11-6-7(12)5-8(11)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyUSDCLOBDGKXLSH-UHFFFAOYSA-N
XLogP-0.93
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351292
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 114351642
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S,4R)-1-[3-(dimethylamino)propylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843034
4-[2-(dimethylamino)ethyl]thiomorpholine-3-carboxylic acid
CID 82905755
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351458) is 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(C)CCN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is USDCLOBDGKXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10(2)3-4-11-6-7(12)5-8(11)9(13)14/h7-8,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).