(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid

C13H19NO3 — CID 124702341

IUPAC(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H19NO3/c15-12(10-7-9(10)8-4-5-8)14-6-2-1-3-11(14)13(16)17/h8-11H,1-7H2,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyKLWLTLSVYMVIRW-HBNTYKKESA-N
MW237.30 g/mol
LogP1.50
Rot. Bonds3

About (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid

(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 124702341) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid
PubChem CID124702341
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C13H19NO3/c15-12(10-7-9(10)8-4-5-8)14-6-2-1-3-11(14)13(16)17/h8-11H,1-7H2,(H,16,17)/t9-,10+,11+/m0/s1
InChIKeyKLWLTLSVYMVIRW-HBNTYKKESA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid (CID 124702341) is (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is KLWLTLSVYMVIRW-HBNTYKKESA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(10-7-9(10)8-4-5-8)14-6-2-1-3-11(14)13(16)17/h8-11H,1-7H2,(H,16,17)/t9-,10+,11+/m0/s1.
What are the key properties of (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid?
(2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 124702341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).