1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

C12H21N3O2 — CID 136581611

IUPAC1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-3-8-7-9(8)14-12(17)15-6-4-5-10(15)11(16)13-2/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,17)/t8-,9-,10?/m1/s1
InChIKeyCUDZFTYEMNUHIW-MGRQHWMJSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds3

About 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide

1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 136581611) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
PubChem CID136581611
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H]1C[C@H]1NC(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C12H21N3O2/c1-3-8-7-9(8)14-12(17)15-6-4-5-10(15)11(16)13-2/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,17)/t8-,9-,10?/m1/s1
InChIKeyCUDZFTYEMNUHIW-MGRQHWMJSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[(2-ethylcyclohexyl)carbamoyl]azepane-2-carboxylic acid
CID 64562536
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
N-(2-ethylcyclopropyl)-4-methylpiperidine-1-carboxamide
CID 103878354
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 163963935

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide (CID 136581611) is 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is CC[C@@H]1C[C@H]1NC(=O)N1CCCC1C(=O)NC.
What is the InChIKey of 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is CUDZFTYEMNUHIW-MGRQHWMJSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-8-7-9(8)14-12(17)15-6-4-5-10(15)11(16)13-2/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,17)/t8-,9-,10?/m1/s1.
What are the key properties of 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide?
1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R,2R)-2-ethylcyclopropyl]-2-N-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 136581611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).