(2S)-1-methylpyrrolidine-2-carboxamide

C6H12N2O — CID 14245857

IUPAC(2S)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1
InChIKeyIGERQMDMYFFQLC-YFKPBYRVSA-N
MW128.18 g/mol
LogP-0.43
Rot. Bonds1

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

(2S)-1-methylpyrrolidine-2-carboxamide (PubChem CID 14245857) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (2S)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methylpyrrolidine-2-carboxamide
PubChem CID14245857
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(2S)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(N)=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1
InChIKeyIGERQMDMYFFQLC-YFKPBYRVSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2S)-1-methylazetidine-2-carboxamide
CID 59708444
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-(1-methylpyrrolidin-2-yl)ethenamine
CID 143166918
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
(2S)-1-methylpyrrolidine-2-carbohydrazide
CID 12522151
2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816509
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methylpyrrolidine-2-carboxamide (CID 14245857) is (2S)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is IGERQMDMYFFQLC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/t5-/m0/s1.
What are the key properties of (2S)-1-methylpyrrolidine-2-carboxamide?
(2S)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 128.18 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 14245857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).