1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid

C10H16N2O5 — CID 79369030

IUPAC1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C10H16N2O5/c1-6-7(9(14)15)3-4-12(6)5-8(13)11-10(16)17-2/h6-7H,3-5H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyGFDVOAZNMNUJDR-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.34
Rot. Bonds3

About 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid

1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369030) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369030
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCOC(=O)NC(=O)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C10H16N2O5/c1-6-7(9(14)15)3-4-12(6)5-8(13)11-10(16)17-2/h6-7H,3-5H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyGFDVOAZNMNUJDR-UHFFFAOYSA-N
XLogP-0.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methoxycarbonylamino)-2-oxoethyl]-4-methylpiperidine-2-carboxylic acid
CID 114426797
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
2-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370158
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
2-methyl-1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371522
2-methyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371911
1-[2-(3-methoxyanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370579
1-[2-(4-chloroanilino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372355
2-methyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 79370399
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79369960
1-heptyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371042
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79369030) is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid is COC(=O)NC(=O)CN1CCC(C(=O)O)C1C.
What is the InChIKey of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GFDVOAZNMNUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6-7(9(14)15)3-4-12(6)5-8(13)11-10(16)17-2/h6-7H,3-5H2,1-2H3,(H,14,15)(H,11,13,16).
What are the key properties of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).