4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C15H26N2O3 — CID 103500429

IUPAC4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2CC(C)C(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)12-4-6-16(7-5-12)15(20)17-8-11(3)13(9-17)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyLYJLUXKQXOQRGC-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.13
Rot. Bonds2

About 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 103500429) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID103500429
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C1CCN(C(=O)N2CC(C)C(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O3/c1-10(2)12-4-6-16(7-5-12)15(20)17-8-11(3)13(9-17)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKeyLYJLUXKQXOQRGC-UHFFFAOYSA-N
XLogP2.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(4-ethylpiperazine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085861
(3S,4S)-4-methyl-1-(4-propan-2-ylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120952125
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
CID 63720854
4-methyl-1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55230911
1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64599644
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
cis-(1S,2R)-2-(3-propan-2-ylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 114092803
1-(4-methylpiperidine-1-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918481
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(3S,4S)-4-methyl-1-(2-methyl-1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 114085920

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 103500429) is 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is CC(C)C1CCN(C(=O)N2CC(C)C(C(=O)O)C2)CC1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LYJLUXKQXOQRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)12-4-6-16(7-5-12)15(20)17-8-11(3)13(9-17)14(18)19/h10-13H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103500429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).