(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid

C14H24N2O2 — CID 134324824

IUPAC(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
SMILESCC1CNCCC1N1CCC[C@H]1[C@@H]1CC1C(=O)O
InChIInChI=1S/C14H24N2O2/c1-9-8-15-5-4-12(9)16-6-2-3-13(16)10-7-11(10)14(17)18/h9-13,15H,2-8H2,1H3,(H,17,18)/t9?,10-,11?,12?,13+/m1/s1
InChIKeyILQRUDJJJJOBIT-XUJBLEAGSA-N
MW252.36 g/mol
LogP1.17
Rot. Bonds3

About (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid

(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 134324824) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
PubChem CID134324824
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
SMILESCC1CNCCC1N1CCC[C@H]1[C@@H]1CC1C(=O)O
InChIInChI=1S/C14H24N2O2/c1-9-8-15-5-4-12(9)16-6-2-3-13(16)10-7-11(10)14(17)18/h9-13,15H,2-8H2,1H3,(H,17,18)/t9?,10-,11?,12?,13+/m1/s1
InChIKeyILQRUDJJJJOBIT-XUJBLEAGSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid (CID 134324824) is (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid is CC1CNCCC1N1CCC[C@H]1[C@@H]1CC1C(=O)O.
What is the InChIKey of (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is ILQRUDJJJJOBIT-XUJBLEAGSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-8-15-5-4-12(9)16-6-2-3-13(16)10-7-11(10)14(17)18/h9-13,15H,2-8H2,1H3,(H,17,18)/t9?,10-,11?,12?,13+/m1/s1.
What are the key properties of (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid?
(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 134324824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).