N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C13H17N3O3 — CID 106175565

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)9-2-1-8-3-4-15-6-10(8)5-9/h1-2,5,11,15,17H,3-4,6-7H2,(H2,14,18)(H,16,19)
InChIKeyLIUVOFSNIPLOQN-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.09
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 106175565) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID106175565
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1ccc2c(c1)CNCC2
InChIInChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)9-2-1-8-3-4-15-6-10(8)5-9/h1-2,5,11,15,17H,3-4,6-7H2,(H2,14,18)(H,16,19)
InChIKeyLIUVOFSNIPLOQN-UHFFFAOYSA-N
XLogP-1.09
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
N-(4-hydroxy-2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106148075
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363657
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 79015224
N-(3-amino-2-hydroxy-3-oxopropyl)-3-hydroxy-4-iodobenzamide
CID 106164507

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 106175565) is N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is NC(=O)C(O)CNC(=O)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is LIUVOFSNIPLOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)9-2-1-8-3-4-15-6-10(8)5-9/h1-2,5,11,15,17H,3-4,6-7H2,(H2,14,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 106175565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).