(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide

C13H24N4O2 — CID 136580497

IUPAC(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C13H24N4O2/c1-15(9-10-16-6-2-3-7-16)12(18)11-5-4-8-17(11)13(14)19/h11H,2-10H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyFFLIBBGSDJRBSI-NSHDSACASA-N
MW268.36 g/mol
LogP0.08
Rot. Bonds4

About (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 136580497) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID136580497
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide
SMILESCN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C(N)=O
InChIInChI=1S/C13H24N4O2/c1-15(9-10-16-6-2-3-7-16)12(18)11-5-4-8-17(11)13(14)19/h11H,2-10H2,1H3,(H2,14,19)/t11-/m0/s1
InChIKeyFFLIBBGSDJRBSI-NSHDSACASA-N
XLogP0.08
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-(3-amino-4-methylpentyl)-2-N-methylpyrrolidine-1,2-dicarboxamide;hydrochloride
CID 119659230
(2S)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 95031613
N-methyl-N-(2-pyrrolidin-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110753579
cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 168971647
4-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 63207272
1-(2,6-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56509619
2-(dimethylamino)pyrrolidine-1-carboxamide
CID 90427643
tert-butyl 2-[butyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110415924
N-[2-(azepan-1-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122559026
N-[2-(azepan-1-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154910983
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide (CID 136580497) is (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide is CN(CCN1CCCC1)C(=O)[C@@H]1CCCN1C(N)=O.
What is the InChIKey of (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FFLIBBGSDJRBSI-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4O2/c1-15(9-10-16-6-2-3-7-16)12(18)11-5-4-8-17(11)13(14)19/h11H,2-10H2,1H3,(H2,14,19)/t11-/m0/s1.
What are the key properties of (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 136580497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).