1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid

C15H26N2O4 — CID 102783127

IUPAC1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCC(C)C2CO)C1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-8-16(10-15)14(21)17-7-4-11(2)12(17)9-18/h11-12,18H,3-10H2,1-2H3,(H,19,20)
InChIKeyPATUUSOEPIGJTP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid

1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 102783127) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID102783127
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)N2CCC(C)C2CO)C1
InChIInChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-8-16(10-15)14(21)17-7-4-11(2)12(17)9-18/h11-12,18H,3-10H2,1-2H3,(H,19,20)
InChIKeyPATUUSOEPIGJTP-UHFFFAOYSA-N
XLogP1.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-oxopiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63607820
1-(2-methylpyrrolidine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63135804
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66371677
1-[(4-methylcyclohexyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145607
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465
1-(cyclobutylmethylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149610
1-(2,4-dimethylpiperidine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147979
1-(4-ethylpiperazine-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145616
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
1-(2,2-dimethylcyclopentanecarbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107175468

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid (CID 102783127) is 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)N2CCC(C)C2CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is PATUUSOEPIGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-5-15(13(19)20)6-8-16(10-15)14(21)17-7-4-11(2)12(17)9-18/h11-12,18H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102783127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).