methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

C10H16N2O5 — CID 78925540

IUPACmethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)NC(=O)CN1CCC(C(=O)OC)C1
InChIInChI=1S/C10H16N2O5/c1-16-9(14)7-3-4-12(5-7)6-8(13)11-10(15)17-2/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyFONDDMHXGBXMFO-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.64
Rot. Bonds3

About methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate

methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 78925540) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID78925540
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Namemethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)NC(=O)CN1CCC(C(=O)OC)C1
InChIInChI=1S/C10H16N2O5/c1-16-9(14)7-3-4-12(5-7)6-8(13)11-10(15)17-2/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyFONDDMHXGBXMFO-UHFFFAOYSA-N
XLogP-0.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
methyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47280826
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730592
methyl N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]carbamate
CID 11940465
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605
methyl (3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylate
CID 121475314

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate (CID 78925540) is methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is COC(=O)NC(=O)CN1CCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is FONDDMHXGBXMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-16-9(14)7-3-4-12(5-7)6-8(13)11-10(15)17-2/h7H,3-6H2,1-2H3,(H,11,13,15).
What are the key properties of methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate?
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 244.25 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 78925540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).