(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

C14H24N2O3 — CID 104939753

IUPAC(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-7-10(2)11(3)16(8-9)14(19)15-6-4-5-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9?,10?,11?,12-/m0/s1
InChIKeyRXUPHPCBAQZDTQ-ROAFRPBMSA-N
MW268.36 g/mol
LogP2.02
Rot. Bonds1

About (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 104939753) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID104939753
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-9-7-10(2)11(3)16(8-9)14(19)15-6-4-5-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9?,10?,11?,12-/m0/s1
InChIKeyRXUPHPCBAQZDTQ-ROAFRPBMSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
(2R)-1-(2,3-dimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922537
4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid
CID 114594424
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939777
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
1-[(2,4-dimethylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63998601
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 104939753) is (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CC(C)C(C)N(C(=O)N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RXUPHPCBAQZDTQ-ROAFRPBMSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9-7-10(2)11(3)16(8-9)14(19)15-6-4-5-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)/t9?,10?,11?,12-/m0/s1.
What are the key properties of (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104939753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).