1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid

C9H16N2O4 — CID 114351292

IUPAC1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(=O)NCCN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-2-3-11-5-7(13)4-8(11)9(14)15/h7-8,13H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyFOMCFBKWHTUTQK-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.36
Rot. Bonds4

About 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351292) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351292
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC(=O)NCCN1CC(O)CC1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-6(12)10-2-3-11-5-7(13)4-8(11)9(14)15/h7-8,13H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyFOMCFBKWHTUTQK-UHFFFAOYSA-N
XLogP-1.36
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
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)ethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351458
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S,4R)-4-hydroxy-1-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 88652438
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
methyl 4-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-2-carboxylate
CID 72979082
4-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 114351642
1-(3-chloro-2-methylprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106439330
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexyl]acetamide
CID 157463961
4-hydroxy-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 114351248

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351292) is 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid is CC(=O)NCCN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FOMCFBKWHTUTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(12)10-2-3-11-5-7(13)4-8(11)9(14)15/h7-8,13H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).