1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

C12H23N3O4 — CID 55097642

IUPAC1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN(C)CCNC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-14(2)6-5-13-12(18)15-8-9(19-3)7-10(15)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyWLQOALYIVBPPSI-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.18
Rot. Bonds6

About 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid

1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 55097642) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID55097642
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCN(C)CCNC(=O)N1CC(OC)CC1C(=O)O
InChIInChI=1S/C12H23N3O4/c1-4-14(2)6-5-13-12(18)15-8-9(19-3)7-10(15)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyWLQOALYIVBPPSI-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid (CID 55097642) is 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is CCN(C)CCNC(=O)N1CC(OC)CC1C(=O)O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is WLQOALYIVBPPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-4-14(2)6-5-13-12(18)15-8-9(19-3)7-10(15)11(16)17/h9-10H,4-8H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid?
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55097642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).