ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C11H18N2O5 — CID 62011895

IUPACethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NC(=O)OC
InChIInChI=1S/C11H18N2O5/c1-3-18-10(15)8-5-4-6-13(8)7-9(14)12-11(16)17-2/h8H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyTURQYRXKBIDJEX-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.10
Rot. Bonds4

About ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62011895) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62011895
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Nameethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NC(=O)OC
InChIInChI=1S/C11H18N2O5/c1-3-18-10(15)8-5-4-6-13(8)7-9(14)12-11(16)17-2/h8H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyTURQYRXKBIDJEX-UHFFFAOYSA-N
XLogP-0.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
CID 62028758
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-[3-(ethylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
CID 62326636
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62011895) is ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)NC(=O)OC.
What is the InChIKey of ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is TURQYRXKBIDJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-18-10(15)8-5-4-6-13(8)7-9(14)12-11(16)17-2/h8H,3-7H2,1-2H3,(H,12,14,16).
What are the key properties of ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 258.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62011895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).