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

C5H10N2O — CID 59708444

IUPAC(2S)-1-methylazetidine-2-carboxamide
SMILESCN1CC[C@H]1C(N)=O
InChIInChI=1S/C5H10N2O/c1-7-3-2-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyMCJHEDAMRIXIGJ-BYPYZUCNSA-N
MW114.15 g/mol
LogP-0.82
Rot. Bonds1

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

(2S)-1-methylazetidine-2-carboxamide (PubChem CID 59708444) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (2S)-1-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylazetidine-2-carboxamide
PubChem CID59708444
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(2S)-1-methylazetidine-2-carboxamide
SMILESCN1CC[C@H]1C(N)=O
InChIInChI=1S/C5H10N2O/c1-7-3-2-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1
InChIKeyMCJHEDAMRIXIGJ-BYPYZUCNSA-N
XLogP-0.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
(2S)-1-methylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68577881
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
(1-methylazetidin-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 145087552
2-carbamoylazetidine-1-carboxylic acid
CID 66897178
(2S)-4-(cyclopentanecarbonyl)-1-methylpiperazine-2-carboxamide
CID 124992011
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
N-tert-butyl-N,1-dimethylazetidine-2-carboxamide
CID 134509557
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylazetidine-2-carboxamide?
The IUPAC name of (2S)-1-methylazetidine-2-carboxamide (CID 59708444) is (2S)-1-methylazetidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylazetidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylazetidine-2-carboxamide is CN1CC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-methylazetidine-2-carboxamide?
The InChIKey is MCJHEDAMRIXIGJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7-3-2-4(7)5(6)8/h4H,2-3H2,1H3,(H2,6,8)/t4-/m0/s1.
What are the key properties of (2S)-1-methylazetidine-2-carboxamide?
(2S)-1-methylazetidine-2-carboxamide has a molecular weight of 114.15 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylazetidine-2-carboxamide is sourced from PubChem (CID 59708444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).