1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid

C13H22N2O2 — CID 65056040

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCN(C3CC3)C2)CC1
InChIInChI=1S/C13H22N2O2/c16-13(17)10-3-6-14(7-4-10)12-5-8-15(9-12)11-1-2-11/h10-12H,1-9H2,(H,16,17)
InChIKeyNUVIGOXBEZWMMD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds3

About 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid

1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid (PubChem CID 65056040) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
PubChem CID65056040
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2CCN(C3CC3)C2)CC1
InChIInChI=1S/C13H22N2O2/c16-13(17)10-3-6-14(7-4-10)12-5-8-15(9-12)11-1-2-11/h10-12H,1-9H2,(H,16,17)
InChIKeyNUVIGOXBEZWMMD-UHFFFAOYSA-N
XLogP1.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxycyclohexyl)piperidine-4-carboxylic acid
CID 51063823
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497284
4-[(3S)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid
CID 129497292
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
1-(4-ethoxycarbonylcyclohexyl)piperidine-4-carboxylic acid
CID 167464338
1-(3,5-dimethylcyclohexyl)piperidine-4-carboxylic acid
CID 64731256
3-(4-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821304
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997151

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid (CID 65056040) is 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2CCN(C3CC3)C2)CC1.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid?
The InChIKey is NUVIGOXBEZWMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(17)10-3-6-14(7-4-10)12-5-8-15(9-12)11-1-2-11/h10-12H,1-9H2,(H,16,17).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid?
1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65056040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).