2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid

C8H9NO5 — CID 70489313

IUPAC2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid
SMILESCC(=O)C[C@@H]1CC(=O)N1C(=O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-4(10)2-5-3-6(11)9(5)7(12)8(13)14/h5H,2-3H2,1H3,(H,13,14)/t5-/m1/s1
InChIKeyPECFCJGMYFNELV-RXMQYKEDSA-N
MW199.16 g/mol
LogP-0.82
Rot. Bonds2

About 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid

2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid (PubChem CID 70489313) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid
PubChem CID70489313
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid
SMILESCC(=O)C[C@@H]1CC(=O)N1C(=O)C(=O)O
InChIInChI=1S/C8H9NO5/c1-4(10)2-5-3-6(11)9(5)7(12)8(13)14/h5H,2-3H2,1H3,(H,13,14)/t5-/m1/s1
InChIKeyPECFCJGMYFNELV-RXMQYKEDSA-N
XLogP-0.82
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
CID 14396546
1-methyl-3-(2-oxopropyl)pyrrolidine-2,5-dione
CID 156748607
2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
CID 115013829
2-(1-tert-butyl-4-oxoazetidin-2-yl)acetic acid
CID 22253735
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
4-(2-oxopropyl)azetidin-2-one
CID 10887909
7-[(2R)-2-(methoxymethyl)-4-oxoazetidin-1-yl]heptanoic acid
CID 58014306
2-(1-cyclopropyl-4-oxoazetidin-2-yl)acetic acid
CID 115013531
1,3-dimethyl-2-(2-oxopropyl)imidazolidin-4-one
CID 121376797
[(2R,3S)-1-methyl-5-oxo-2-(2-oxopropyl)pyrrolidin-3-yl] acetate
CID 125475412
2-(2-chloro-4-oxoazetidin-1-yl)-3-hydroxypent-2-enoic acid
CID 70610179

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid?
The IUPAC name of 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid (CID 70489313) is 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid?
The canonical SMILES for 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid is CC(=O)C[C@@H]1CC(=O)N1C(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid?
The InChIKey is PECFCJGMYFNELV-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9NO5/c1-4(10)2-5-3-6(11)9(5)7(12)8(13)14/h5H,2-3H2,1H3,(H,13,14)/t5-/m1/s1.
What are the key properties of 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid?
2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid has a molecular weight of 199.16 g/mol, XLogP of -0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-[(4R)-2-oxo-4-(2-oxopropyl)azetidin-1-yl]acetic acid is sourced from PubChem (CID 70489313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).