4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

C11H23Cl2N3O2 — CID 119860703

IUPAC4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN1CCCC1CNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C11H21N3O2.2ClH/c1-14-4-2-3-8(14)6-13-11(16)10-5-9(15)7-12-10;;/h8-10,12,15H,2-7H2,1H3,(H,13,16);2*1H
InChIKeyPPXZPPPVKLOLON-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.24
Rot. Bonds3

About 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride

4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119860703) has the molecular formula C11H23Cl2N3O2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119860703
Molecular FormulaC11H23Cl2N3O2
Molecular Weight300.23 g/mol
Exact Mass299.12
IUPAC Name4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN1CCCC1CNC(=O)C1CC(O)CN1.Cl.Cl
InChIInChI=1S/C11H21N3O2.2ClH/c1-14-4-2-3-8(14)6-13-11(16)10-5-9(15)7-12-10;;/h8-10,12,15H,2-7H2,1H3,(H,13,16);2*1H
InChIKeyPPXZPPPVKLOLON-UHFFFAOYSA-N
XLogP-0.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103630206
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119888680
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
N-[(1-benzylpyrrolidin-2-yl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119888681
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026312
N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119860698
5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide
CID 106026289
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 94229368

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119860703) is 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is CN1CCCC1CNC(=O)C1CC(O)CN1.Cl.Cl.
What is the InChIKey of 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is PPXZPPPVKLOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.2ClH/c1-14-4-2-3-8(14)6-13-11(16)10-5-9(15)7-12-10;;/h8-10,12,15H,2-7H2,1H3,(H,13,16);2*1H.
What are the key properties of 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride?
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 300.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119860703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).