1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C15H29N3O3 — CID 63720392

IUPAC1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCN(C(C)C)C(C)C)CC1C(=O)O
InChIInChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)7-6-16-15(21)17-8-12(5)13(9-17)14(19)20/h10-13H,6-9H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyJQFZLWLQHLUXLW-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.47
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720392) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720392
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)NCCN(C(C)C)C(C)C)CC1C(=O)O
InChIInChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)7-6-16-15(21)17-8-12(5)13(9-17)14(19)20/h10-13H,6-9H2,1-5H3,(H,16,21)(H,19,20)
InChIKeyJQFZLWLQHLUXLW-UHFFFAOYSA-N
XLogP1.47
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63722005
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
4-methyl-1-(4-propan-2-yloxybutylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106004542
1-(2-cyclopentylethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719557
(3S,4S)-1-[2-(2,2-difluoroethoxy)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114128611
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
1-[(2-methoxy-2-oxoethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719869
4-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63720407
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 106326432
(3S,4S)-1-[[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98539691
(3S,4S)-1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114133908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63720392) is 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)NCCN(C(C)C)C(C)C)CC1C(=O)O.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JQFZLWLQHLUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(2)18(11(3)4)7-6-16-15(21)17-8-12(5)13(9-17)14(19)20/h10-13H,6-9H2,1-5H3,(H,16,21)(H,19,20).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 299.42 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).