4-oxo-1-propan-2-ylazetidine-2-carboxylic acid

C7H11NO3 — CID 84650541

IUPAC4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1C(=O)CC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4(2)8-5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyYHVJLUKLPQLMRK-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.08
Rot. Bonds2

About 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid

4-oxo-1-propan-2-ylazetidine-2-carboxylic acid (PubChem CID 84650541) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
PubChem CID84650541
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1C(=O)CC1C(=O)O
InChIInChI=1S/C7H11NO3/c1-4(2)8-5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyYHVJLUKLPQLMRK-UHFFFAOYSA-N
XLogP0.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-hydroxy-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 134548886
2-(4-oxo-1-propan-2-ylazetidin-2-yl)acetic acid
CID 115013829
4-fluoro-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 166668755
(3S)-1,2-dimethyl-5-oxopyrazolidine-3-carboxylic acid
CID 95001185
5-hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
CID 10536867
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
1-butan-2-yl-5-oxopyrrolidine-2-carboxylic acid
CID 6624620
(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79972285
(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844959
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid?
The IUPAC name of 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid (CID 84650541) is 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid?
The canonical SMILES for 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid is CC(C)N1C(=O)CC1C(=O)O.
What is the InChIKey of 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid?
The InChIKey is YHVJLUKLPQLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)8-5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid?
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-propan-2-ylazetidine-2-carboxylic acid is sourced from PubChem (CID 84650541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).