methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate

C10H16N2O4 — CID 21311670

IUPACmethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CN1CCCC1=O
InChIInChI=1S/C10H16N2O4/c1-7(10(15)16-2)11-8(13)6-12-5-3-4-9(12)14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyRYHRQCRIISWHPC-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds4

About methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate

methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate (PubChem CID 21311670) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate
PubChem CID21311670
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CN1CCCC1=O
InChIInChI=1S/C10H16N2O4/c1-7(10(15)16-2)11-8(13)6-12-5-3-4-9(12)14/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyRYHRQCRIISWHPC-UHFFFAOYSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate (CID 21311670) is methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)CN1CCCC1=O.
What is the InChIKey of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate?
The InChIKey is RYHRQCRIISWHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(10(15)16-2)11-8(13)6-12-5-3-4-9(12)14/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate?
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 21311670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).