1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C12H18N4O4 — CID 65231065

IUPAC1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCc2cnc[nH]2)C1
InChIInChI=1S/C12H18N4O4/c1-20-9-4-10(11(17)18)16(6-9)12(19)14-3-2-8-5-13-7-15-8/h5,7,9-10H,2-4,6H2,1H3,(H,13,15)(H,14,19)(H,17,18)
InChIKeyNQKUZLFZZBFABS-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.16
Rot. Bonds5

About 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 65231065) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID65231065
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCCc2cnc[nH]2)C1
InChIInChI=1S/C12H18N4O4/c1-20-9-4-10(11(17)18)16(6-9)12(19)14-3-2-8-5-13-7-15-8/h5,7,9-10H,2-4,6H2,1H3,(H,13,15)(H,14,19)(H,17,18)
InChIKeyNQKUZLFZZBFABS-UHFFFAOYSA-N
XLogP-0.16
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 65231065) is 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCCc2cnc[nH]2)C1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is NQKUZLFZZBFABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-20-9-4-10(11(17)18)16(6-9)12(19)14-3-2-8-5-13-7-15-8/h5,7,9-10H,2-4,6H2,1H3,(H,13,15)(H,14,19)(H,17,18).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65231065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).