methane;(2S)-4-oxoazetidine-2-carboxylic acid

C5H9NO3 — CID 143306499

IUPACmethane;(2S)-4-oxoazetidine-2-carboxylic acid
SMILESC.O=C1C[C@@H](C(=O)O)N1
InChIInChI=1S/C4H5NO3.CH4/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H4/t2-;/m0./s1
InChIKeyJZJRZMQDTTUJNA-DKWTVANSSA-N
MW131.13 g/mol
LogP-0.40
Rot. Bonds1

About methane;(2S)-4-oxoazetidine-2-carboxylic acid

methane;(2S)-4-oxoazetidine-2-carboxylic acid (PubChem CID 143306499) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methane;(2S)-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Namemethane;(2S)-4-oxoazetidine-2-carboxylic acid
PubChem CID143306499
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethane;(2S)-4-oxoazetidine-2-carboxylic acid
SMILESC.O=C1C[C@@H](C(=O)O)N1
InChIInChI=1S/C4H5NO3.CH4/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H4/t2-;/m0./s1
InChIKeyJZJRZMQDTTUJNA-DKWTVANSSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
3,7-dioxo-1,4-diazepane-5-carboxylic acid
CID 69050317
2,6-dioxo-1,3-diazinane-4-carboxylic acid;zinc
CID 76549402
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
4,6-dioxopiperidine-2-carboxylic acid
CID 76516314
chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
4-oxoazetidine-2-carboxylate
CID 22451625
4-amino-6-oxopiperidine-2-carboxylic acid
CID 71777683
carbamic acid;(2S)-5-oxopyrrolidine-2-carboxylic acid
CID 158032480

Frequently Asked Questions

What is the IUPAC name of methane;(2S)-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of methane;(2S)-4-oxoazetidine-2-carboxylic acid (CID 143306499) is methane;(2S)-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for methane;(2S)-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for methane;(2S)-4-oxoazetidine-2-carboxylic acid is C.O=C1C[C@@H](C(=O)O)N1.
What is the InChIKey of methane;(2S)-4-oxoazetidine-2-carboxylic acid?
The InChIKey is JZJRZMQDTTUJNA-DKWTVANSSA-N. The full InChI is InChI=1S/C4H5NO3.CH4/c6-3-1-2(5-3)4(7)8;/h2H,1H2,(H,5,6)(H,7,8);1H4/t2-;/m0./s1.
What are the key properties of methane;(2S)-4-oxoazetidine-2-carboxylic acid?
methane;(2S)-4-oxoazetidine-2-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S)-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 143306499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).