ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate

C10H18N2O3 — CID 12515616

IUPACethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)CNC
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-4-5-8(12)9(13)7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyVWLXALLKSZEGND-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.40
Rot. Bonds4

About ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate

ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate (PubChem CID 12515616) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
PubChem CID12515616
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CCCC1C(=O)CNC
InChIInChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-4-5-8(12)9(13)7-11-2/h8,11H,3-7H2,1-2H3
InChIKeyVWLXALLKSZEGND-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 1263680
ethyl 2-(2-aminoacetyl)azepane-1-carboxylate
CID 115006837
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
1-ethoxycarbonylpiperidine-2-carboxylate
CID 71341440
2-O-tert-butyl 1-O-ethyl (2R)-pyrrolidine-1,2-dicarboxylate
CID 66902636
ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
tert-butyl (2S)-2-[2-(cyclopropylamino)acetyl]pyrrolidine-1-carboxylate
CID 18606692
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
ethyl 2-(4-fluorobenzoyl)pyrrolidine-1-carboxylate
CID 19772086
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
(2S)-1-butoxycarbonylpyrrolidine-2-carboxylic acid
CID 10976836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate (CID 12515616) is ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate is CCOC(=O)N1CCCC1C(=O)CNC.
What is the InChIKey of ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate?
The InChIKey is VWLXALLKSZEGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-15-10(14)12-6-4-5-8(12)9(13)7-11-2/h8,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate?
ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methylamino)acetyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 12515616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).