1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

C16H30N2O3 — CID 114494851

IUPAC1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)(O)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)16(3,21)11-17-9-6-13(7-10-17)18-8-4-5-14(18)15(19)20/h12-14,21H,4-11H2,1-3H3,(H,19,20)
InChIKeyKNSAJXMZLSTFPJ-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.41
Rot. Bonds5

About 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid

1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (PubChem CID 114494851) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
PubChem CID114494851
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
SMILESCC(C)C(C)(O)CN1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)16(3,21)11-17-9-6-13(7-10-17)18-8-4-5-14(18)15(19)20/h12-14,21H,4-11H2,1-3H3,(H,19,20)
InChIKeyKNSAJXMZLSTFPJ-UHFFFAOYSA-N
XLogP1.41
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
1-[1-(2-ethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 65065192
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019409
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 2755963
1-(1-heptylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61020567
(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 97076011
N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71845243
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-[1-(4-amino-2-methylbutanoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 80542423

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid (CID 114494851) is 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is CC(C)C(C)(O)CN1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is KNSAJXMZLSTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)16(3,21)11-17-9-6-13(7-10-17)18-8-4-5-14(18)15(19)20/h12-14,21H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid?
1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114494851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).