3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride

C13H20ClN3O2 — CID 120961894

IUPAC3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNCC2CNCC2O)c1
InChIInChI=1S/C13H19N3O2.ClH/c14-13(18)10-3-1-2-9(4-10)5-15-6-11-7-16-8-12(11)17;/h1-4,11-12,15-17H,5-8H2,(H2,14,18);1H
InChIKeyPQTQTXBAKLRLCX-UHFFFAOYSA-N
MW285.77 g/mol
LogP-0.12
Rot. Bonds5

About 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride

3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride (PubChem CID 120961894) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
PubChem CID120961894
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(CNCC2CNCC2O)c1
InChIInChI=1S/C13H19N3O2.ClH/c14-13(18)10-3-1-2-9(4-10)5-15-6-11-7-16-8-12(11)17;/h1-4,11-12,15-17H,5-8H2,(H2,14,18);1H
InChIKeyPQTQTXBAKLRLCX-UHFFFAOYSA-N
XLogP-0.12
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide
CID 120962997
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
4-[[(3-nitrophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120963132
4-[[[3-(trifluoromethyl)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962314
3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
CID 128993203
3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]benzamide
CID 55026135
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride?
The IUPAC name of 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride (CID 120961894) is 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(CNCC2CNCC2O)c1.
What is the InChIKey of 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride?
The InChIKey is PQTQTXBAKLRLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c14-13(18)10-3-1-2-9(4-10)5-15-6-11-7-16-8-12(11)17;/h1-4,11-12,15-17H,5-8H2,(H2,14,18);1H.
What are the key properties of 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride?
3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120961894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).