2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid

C8H11NO6 — CID 72741577

IUPAC2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid
SMILESO=C(O)CC(CC1(O)CNC1=O)C(=O)O
InChIInChI=1S/C8H11NO6/c10-5(11)1-4(6(12)13)2-8(15)3-9-7(8)14/h4,15H,1-3H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyCKMFSDRJXOLMOV-UHFFFAOYSA-N
MW217.18 g/mol
LogP-1.59
Rot. Bonds5

About 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid

2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid (PubChem CID 72741577) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid
PubChem CID72741577
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid
SMILESO=C(O)CC(CC1(O)CNC1=O)C(=O)O
InChIInChI=1S/C8H11NO6/c10-5(11)1-4(6(12)13)2-8(15)3-9-7(8)14/h4,15H,1-3H2,(H,9,14)(H,10,11)(H,12,13)
InChIKeyCKMFSDRJXOLMOV-UHFFFAOYSA-N
XLogP-1.59
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
trisodium;hydride;propane-1,2,3-tricarboxylic acid;hydrate
CID 173458635
(2S)-2-ethylbutanedioic acid
CID 6997245
2-(methylaminomethyl)butanedioic acid
CID 84651177
2-(2-chloro-2-oxoethyl)butanedioic acid
CID 19364489
nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
(E)-hex-4-ene-1,2,6-tricarboxylic acid
CID 19864714
2-(3,3-dimethylbutyl)butanedioic acid
CID 87993022
3-ethyl-3-hydroxypyrrolidin-2-one
CID 123912122
methane;2-prop-2-enylbutanedioic acid;hydrofluoride
CID 174751043
4-hydroxybutane-1,2,4-tricarboxylic acid
CID 54238219
(2S)-2-propylbutanedioic acid
CID 12648185

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid?
The IUPAC name of 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid (CID 72741577) is 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid?
The canonical SMILES for 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid is O=C(O)CC(CC1(O)CNC1=O)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid?
The InChIKey is CKMFSDRJXOLMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO6/c10-5(11)1-4(6(12)13)2-8(15)3-9-7(8)14/h4,15H,1-3H2,(H,9,14)(H,10,11)(H,12,13).
What are the key properties of 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid?
2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid has a molecular weight of 217.18 g/mol, XLogP of -1.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-oxoazetidin-3-yl)methyl]butanedioic acid is sourced from PubChem (CID 72741577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).