1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C13H25N3O4 — CID 63722005

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-10-8-16(9-11(10)12(17)18)13(19)14-4-5-15(2)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeySUCJIFAGWKDNSQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.07
Rot. Bonds7

About 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63722005) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63722005
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCOCCN(C)CCNC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C13H25N3O4/c1-10-8-16(9-11(10)12(17)18)13(19)14-4-5-15(2)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeySUCJIFAGWKDNSQ-UHFFFAOYSA-N
XLogP-0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidine-1-carboxamide
CID 115605829
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720392
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopropane-1-carboxamide
CID 114995925
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
1-[2-methoxyethyl(2-methylpropyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720596
(3S,4S)-1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114133908
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63722005) is 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is COCCN(C)CCNC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is SUCJIFAGWKDNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-10-8-16(9-11(10)12(17)18)13(19)14-4-5-15(2)6-7-20-3/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63722005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).