3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid

C16H28N2O3 — CID 106981614

IUPAC3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CCC(C(=O)O)(C(C)C)C2)CCCN1
InChIInChI=1S/C16H28N2O3/c1-4-6-16(7-5-9-17-16)13(19)18-10-8-15(11-18,12(2)3)14(20)21/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyRASGHOHOHKACPN-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds5

About 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid

3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 106981614) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID106981614
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CCC(C(=O)O)(C(C)C)C2)CCCN1
InChIInChI=1S/C16H28N2O3/c1-4-6-16(7-5-9-17-16)13(19)18-10-8-15(11-18,12(2)3)14(20)21/h12,17H,4-11H2,1-3H3,(H,20,21)
InChIKeyRASGHOHOHKACPN-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 83063296
(4-propylpiperidin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975090
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106975639
(3,3-diethylpyrrolidin-1-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83073569
1-[cyclopentyl(ethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983703
(4-ethylazepan-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975291
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
3-[4-(2-propylpyrrolidine-2-carbonyl)piperazin-1-yl]propanenitrile
CID 106975624
[4-(2-hydroxyethoxy)piperidin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
CID 106975662
[3-(dimethylamino)piperidin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
CID 106975402
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106975869

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 106981614) is 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid is CCCC1(C(=O)N2CCC(C(=O)O)(C(C)C)C2)CCCN1.
What is the InChIKey of 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RASGHOHOHKACPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-6-16(7-5-9-17-16)13(19)18-10-8-15(11-18,12(2)3)14(20)21/h12,17H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2-propylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).