ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

C10H18N2O3 — CID 60700666

IUPACethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C10H18N2O3/c1-4-15-10(14)12-7-5-6-8(12)9(13)11(2)3/h8H,4-7H2,1-3H3
InChIKeyHNRQHQGWDGBUBC-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.70
Rot. Bonds2

About ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate

ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 60700666) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID60700666
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C10H18N2O3/c1-4-15-10(14)12-7-5-6-8(12)9(13)11(2)3/h8H,4-7H2,1-3H3
InChIKeyHNRQHQGWDGBUBC-UHFFFAOYSA-N
XLogP0.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
CID 12515616
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43650356
1-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate (CID 60700666) is ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is HNRQHQGWDGBUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-15-10(14)12-7-5-6-8(12)9(13)11(2)3/h8H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate?
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 60700666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).