(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H20N2O3 — CID 106101517

IUPAC(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c18-14(17-9-15(19)5-6-20-10-15)13-7-11-3-1-2-4-12(11)8-16-13/h1-4,13,16,19H,5-10H2,(H,17,18)/t13-,15?/m1/s1
InChIKeyYNZLLMIZTQNHPW-AFYYWNPRSA-N
MW276.34 g/mol
LogP-0.03
Rot. Bonds3

About (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 106101517) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID106101517
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCC1(O)CCOC1)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H20N2O3/c18-14(17-9-15(19)5-6-20-10-15)13-7-11-3-1-2-4-12(11)8-16-13/h1-4,13,16,19H,5-10H2,(H,17,18)/t13-,15?/m1/s1
InChIKeyYNZLLMIZTQNHPW-AFYYWNPRSA-N
XLogP-0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

1-[[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450667
(3R)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115454960
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 81433506
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104872753
N-[(1-propan-2-ylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119333912
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103798159
N-[4-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106298865
N-[(1-propylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119345531
N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103796884
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
(3S)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896399
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 106101517) is (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NCC1(O)CCOC1)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is YNZLLMIZTQNHPW-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(17-9-15(19)5-6-20-10-15)13-7-11-3-1-2-4-12(11)8-16-13/h1-4,13,16,19H,5-10H2,(H,17,18)/t13-,15?/m1/s1.
What are the key properties of (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 106101517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).