(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid

C11H18N2O3 — CID 81120944

IUPAC(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-3-4-12-6-8)13-5-1-2-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8?,9-/m1/s1
InChIKeyDTKYRXNOKNMUBD-YGPZHTELSA-N
MW226.28 g/mol
LogP-0.08
Rot. Bonds2

About (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81120944) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81120944
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCNC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(8-3-4-12-6-8)13-5-1-2-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8?,9-/m1/s1
InChIKeyDTKYRXNOKNMUBD-YGPZHTELSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 107222844
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(3S)-3-fluoropiperidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129494555
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
[(3R)-3-aminopiperidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 131163040
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
(3-methoxypiperidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103809318
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid (CID 81120944) is (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)C2CCNC2)C1.
What is the InChIKey of (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is DTKYRXNOKNMUBD-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(8-3-4-12-6-8)13-5-1-2-9(7-13)11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81120944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).