acetic acid;4-hydroxypyrrolidin-2-one

C6H11NO4 — CID 67821744

IUPACacetic acid;4-hydroxypyrrolidin-2-one
SMILESCC(=O)O.O=C1CC(O)CN1
InChIInChI=1S/C4H7NO2.C2H4O2/c6-3-1-4(7)5-2-3;1-2(3)4/h3,6H,1-2H2,(H,5,7);1H3,(H,3,4)
InChIKeyDNEOKMPINWPCLN-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.04
Rot. Bonds

About acetic acid;4-hydroxypyrrolidin-2-one

acetic acid;4-hydroxypyrrolidin-2-one (PubChem CID 67821744) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is acetic acid;4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Nameacetic acid;4-hydroxypyrrolidin-2-one
PubChem CID67821744
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameacetic acid;4-hydroxypyrrolidin-2-one
SMILESCC(=O)O.O=C1CC(O)CN1
InChIInChI=1S/C4H7NO2.C2H4O2/c6-3-1-4(7)5-2-3;1-2(3)4/h3,6H,1-2H2,(H,5,7);1H3,(H,3,4)
InChIKeyDNEOKMPINWPCLN-UHFFFAOYSA-N
XLogP-1.04
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxypyrrolidin-2-one;propane
CID 169229949
(5S)-5-hydroxypiperidin-2-one
CID 10964456
(4S,5R)-4,5-dihydroxypiperidin-2-one
CID 57413174
CID 66603050
CID 66603050
S-[(3S)-5-oxopyrrolidin-3-yl] ethanethioate
CID 10534964
(3S,4R)-3-deuterio-4-hydroxypyrrolidin-2-one
CID 175949992
(2S,4S)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192599
(2S,4R)-4-hydroxy-1-(5-oxopyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83192354
(1R,6S,7R,8S,9R,14S,15R,16S,17R,22S,23R,24S,25R,30S,31R,32S)-7,8,15,16,23,24,31,32-octahydroxy-33,34,35,36-tetraoxa-3,11,19,27-tetrazapentacyclo[28.2.1.16,9.114,17.122,25]hexatriacontane-4,12,20,28-tetrone
CID 11735115
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
N-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78983294
(4R)-4-ethanimidoylpyrrolidin-2-one
CID 139397708

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-hydroxypyrrolidin-2-one?
The IUPAC name of acetic acid;4-hydroxypyrrolidin-2-one (CID 67821744) is acetic acid;4-hydroxypyrrolidin-2-one.
What is the SMILES notation for acetic acid;4-hydroxypyrrolidin-2-one?
The canonical SMILES for acetic acid;4-hydroxypyrrolidin-2-one is CC(=O)O.O=C1CC(O)CN1.
What is the InChIKey of acetic acid;4-hydroxypyrrolidin-2-one?
The InChIKey is DNEOKMPINWPCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C2H4O2/c6-3-1-4(7)5-2-3;1-2(3)4/h3,6H,1-2H2,(H,5,7);1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxypyrrolidin-2-one?
acetic acid;4-hydroxypyrrolidin-2-one has a molecular weight of 161.16 g/mol, XLogP of -1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 67821744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).