methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C11H18N2O5 — CID 62027860

IUPACmethyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)NC(=O)CN1CCCC1C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-3-18-11(16)12-9(14)7-13-6-4-5-8(13)10(15)17-2/h8H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyZKJRAGUAOODJTB-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.10
Rot. Bonds4

About methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62027860) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62027860
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namemethyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)NC(=O)CN1CCCC1C(=O)OC
InChIInChI=1S/C11H18N2O5/c1-3-18-11(16)12-9(14)7-13-6-4-5-8(13)10(15)17-2/h8H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyZKJRAGUAOODJTB-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

ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62011895
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
1-[2-(ethoxycarbonylamino)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072029
methyl 1-[2-(cyanomethylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027282
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 60597140
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62027860) is methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)NC(=O)CN1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is ZKJRAGUAOODJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-18-11(16)12-9(14)7-13-6-4-5-8(13)10(15)17-2/h8H,3-7H2,1-2H3,(H,12,14,16).
What are the key properties of methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(ethoxycarbonylamino)-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 methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62027860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).