(2S)-2-cyano-N-methylazetidine-1-carboxamide

C6H9N3O — CID 122651314

IUPAC(2S)-2-cyano-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H]1C#N
InChIInChI=1S/C6H9N3O/c1-8-6(10)9-3-2-5(9)4-7/h5H,2-3H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyGMJRUIYTFURBGY-YFKPBYRVSA-N
MW139.16 g/mol
LogP-0.08
Rot. Bonds

About (2S)-2-cyano-N-methylazetidine-1-carboxamide

(2S)-2-cyano-N-methylazetidine-1-carboxamide (PubChem CID 122651314) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is (2S)-2-cyano-N-methylazetidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-methylazetidine-1-carboxamide
PubChem CID122651314
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name(2S)-2-cyano-N-methylazetidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H]1C#N
InChIInChI=1S/C6H9N3O/c1-8-6(10)9-3-2-5(9)4-7/h5H,2-3H2,1H3,(H,8,10)/t5-/m0/s1
InChIKeyGMJRUIYTFURBGY-YFKPBYRVSA-N
XLogP-0.08
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyanomethyl)-N-methylazetidine-1-carboxamide
CID 118907001
3-(cyanomethyl)-N-propan-2-ylazetidine-1-carboxamide
CID 130335583
3-cyano-N-propan-2-ylazetidine-1-carboxamide
CID 130335584
1-[1-(2-Cyanoazetidin-1-yl)ethyl]-3-cyclopropylurea
CID 163550005
2-Cyanoazetidine-1-carboxamide
CID 177065532
2-(cyanomethyl)-N-cyclopropylazetidine-1-carboxamide
CID 178181137
CID 178959062
CID 178959062
3-Butyl-1-(2-cyanoethyl)-1-propan-2-ylurea
CID 60970709
3-Butyl-1-(1-cyanopropan-2-yl)-1-methylurea
CID 63224451
3-(1-Cyanopropan-2-yl)-1,1-diethylurea
CID 78951301
3-(1-Cyanopropan-2-yl)-1,1-dimethylurea
CID 78955630
3-(1-Cyanopropyl)-1,1-dimethylurea
CID 79154403

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-methylazetidine-1-carboxamide?
The IUPAC name of (2S)-2-cyano-N-methylazetidine-1-carboxamide (CID 122651314) is (2S)-2-cyano-N-methylazetidine-1-carboxamide.
What is the SMILES notation for (2S)-2-cyano-N-methylazetidine-1-carboxamide?
The canonical SMILES for (2S)-2-cyano-N-methylazetidine-1-carboxamide is CNC(=O)N1CC[C@H]1C#N.
What is the InChIKey of (2S)-2-cyano-N-methylazetidine-1-carboxamide?
The InChIKey is GMJRUIYTFURBGY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9N3O/c1-8-6(10)9-3-2-5(9)4-7/h5H,2-3H2,1H3,(H,8,10)/t5-/m0/s1.
What are the key properties of (2S)-2-cyano-N-methylazetidine-1-carboxamide?
(2S)-2-cyano-N-methylazetidine-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-methylazetidine-1-carboxamide is sourced from PubChem (CID 122651314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).