methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate

C13H22N2O5 — CID 18597526

IUPACmethyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C13H22N2O5/c1-4-20-11(16)8-15-7-5-6-10(15)12(17)14-9(2)13(18)19-3/h9-10H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyRRIIIZCPZGLYES-UWVGGRQHSA-N
MW286.33 g/mol
LogP-0.31
Rot. Bonds6

About methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate

methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 18597526) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID18597526
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate
SMILESCCOC(=O)CN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C13H22N2O5/c1-4-20-11(16)8-15-7-5-6-10(15)12(17)14-9(2)13(18)19-3/h9-10H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m0/s1
InChIKeyRRIIIZCPZGLYES-UWVGGRQHSA-N
XLogP-0.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448
(2R)-2-[(1-propylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119369844
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
methyl 1-(2-oxo-2-propan-2-yloxyethyl)pyrrolidine-2-carboxylate
CID 62028449
(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethyl)pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 13343615
ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
(2S)-N-(1-amino-1,2-dioxohexan-3-yl)-1-(ethoxymethyl)pyrrolidine-2-carboxamide
CID 143100942
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
CID 51697484
benzyl 2-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4092929

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate (CID 18597526) is methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate is CCOC(=O)CN1CCC[C@H]1C(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is RRIIIZCPZGLYES-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-20-11(16)8-15-7-5-6-10(15)12(17)14-9(2)13(18)19-3/h9-10H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m0/s1.
What are the key properties of methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate?
methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 286.33 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(2S)-1-(2-ethoxy-2-oxoethyl)pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 18597526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).