methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate

C12H16N4O4 — CID 651573

IUPACmethyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyOYBCNAPVAXUGLB-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.11
Rot. Bonds5

About methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate

methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate (PubChem CID 651573) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate
PubChem CID651573
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Namemethyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyOYBCNAPVAXUGLB-UHFFFAOYSA-N
XLogP-1.11
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate (CID 651573) is methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate is COC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1.
What is the InChIKey of methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate?
The InChIKey is OYBCNAPVAXUGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-12(19)9(4-7-5-13-6-14-7)16-11(18)8-2-3-10(17)15-8/h5-6,8-9H,2-4H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate?
methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate has a molecular weight of 280.28 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-imidazol-5-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 651573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).