1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid

C14H24N2O4 — CID 106836777

IUPAC1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(O)C1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10(17)11-4-8-15(9-5-11)13(20)16-7-3-6-14(16,2)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyNJLZPDABXGYOKA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.14
Rot. Bonds2

About 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid

1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 106836777) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID106836777
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC(O)C1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-10(17)11-4-8-15(9-5-11)13(20)16-7-3-6-14(16,2)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyNJLZPDABXGYOKA-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65530201
4-Hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65530206
(2S,4S)-4-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65530207
2-Methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65530403
(2R,4R)-4-hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65530585
4-Hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65531374
(2S,4R)-4-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65531956
(2S,4R)-4-hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65532138
(2S)-4-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65532536
2-Methyl-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 65539109
(2R,4R)-4-hydroxy-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 79009582
(2S,4S)-4-hydroxy-1-[3-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 79009584

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid (CID 106836777) is 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid is CC(O)C1CCN(C(=O)N2CCCC2(C)C(=O)O)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is NJLZPDABXGYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(17)11-4-8-15(9-5-11)13(20)16-7-3-6-14(16,2)12(18)19/h10-11,17H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106836777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).