(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride

C12H23Cl2N3O — CID 119864828

IUPAC(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(C2CC2)C1)[C@@H]1CCCN1
InChIInChI=1S/C12H21N3O.2ClH/c16-12(11-2-1-6-13-11)14-9-5-7-15(8-9)10-3-4-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H/t9?,11-;;/m0../s1
InChIKeyWKACLGXKWSXHTL-UIKRKWDSSA-N
MW296.24 g/mol
LogP0.93
Rot. Bonds3

About (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride

(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119864828) has the molecular formula C12H23Cl2N3O and a molecular weight of 296.24 g/mol. Its IUPAC name is (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119864828
Molecular FormulaC12H23Cl2N3O
Molecular Weight296.24 g/mol
Exact Mass295.12
IUPAC Name(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(C2CC2)C1)[C@@H]1CCCN1
InChIInChI=1S/C12H21N3O.2ClH/c16-12(11-2-1-6-13-11)14-9-5-7-15(8-9)10-3-4-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H/t9?,11-;;/m0../s1
InChIKeyWKACLGXKWSXHTL-UIKRKWDSSA-N
XLogP0.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-cyclopentylpiperidin-4-yl)piperidine-2-carboxamide;dihydrochloride
CID 119846635
N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 119864795
N-(1-cyclopropylpyrrolidin-3-yl)-4-methylpiperidine-2-carboxamide
CID 114423855
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2R)-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)piperidine-2-carboxamide;dihydrochloride
CID 119854314
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-(1-propanoylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 119339093
(2S)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 130690073
(2R)-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 93469163
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
(2S)-N-(1-prop-2-enylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119879117

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride (CID 119864828) is (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(C2CC2)C1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is WKACLGXKWSXHTL-UIKRKWDSSA-N. The full InChI is InChI=1S/C12H21N3O.2ClH/c16-12(11-2-1-6-13-11)14-9-5-7-15(8-9)10-3-4-10;;/h9-11,13H,1-8H2,(H,14,16);2*1H/t9?,11-;;/m0../s1.
What are the key properties of (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 296.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119864828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).