(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C9H15N3O2 — CID 131100347

IUPAC(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2CNC2)N1
InChIInChI=1S/C9H15N3O2/c13-8-2-1-7(12-8)9(14)11-5-6-3-10-4-6/h6-7,10H,1-5H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyWYZOTQGLFMSBQO-ZETCQYMHSA-N
MW197.24 g/mol
LogP-1.40
Rot. Bonds3

About (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 131100347) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID131100347
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2CNC2)N1
InChIInChI=1S/C9H15N3O2/c13-8-2-1-7(12-8)9(14)11-5-6-3-10-4-6/h6-7,10H,1-5H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyWYZOTQGLFMSBQO-ZETCQYMHSA-N
XLogP-1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(morpholin-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 103840837
5-oxo-N-[2-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 155810723
(2R)-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103805969
N-(cyanomethyl)-5-oxopyrrolidine-2-carboxamide
CID 515622
2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetate
CID 11902929
(2S)-N-(3-hydroxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 103799933
5-oxo-N-[2-oxo-2-[2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]ethylamino]ethyl]pyrrolidine-2-carboxamide
CID 19751769
(2S)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 94537622
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
N-(2-methoxyethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689650
(2S)-N-(3-aminopropyl)-5-oxopyrrolidine-2-carboxamide
CID 103805016
(2R)-N-(4-hydroxybutyl)-5-oxopyrrolidine-2-carboxamide
CID 107168306

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 131100347) is (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCC2CNC2)N1.
What is the InChIKey of (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WYZOTQGLFMSBQO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-2-1-7(12-8)9(14)11-5-6-3-10-4-6/h6-7,10H,1-5H2,(H,11,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(azetidin-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 131100347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).