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

C13H17N3O3 — CID 106175930

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)10-6-15-5-8-3-1-2-4-9(8)10/h1-4,10-11,15,17H,5-7H2,(H2,14,18)(H,16,19)
InChIKeyHZSKRRCBTLHYIZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-1.16
Rot. Bonds4

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

N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 106175930) 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-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID106175930
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESNC(=O)C(O)CNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)10-6-15-5-8-3-1-2-4-9(8)10/h1-4,10-11,15,17H,5-7H2,(H2,14,18)(H,16,19)
InChIKeyHZSKRRCBTLHYIZ-UHFFFAOYSA-N
XLogP-1.16
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 ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-[2-(dimethylamino)-3-methylbutyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262629
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-(5-hydroxy-2,2-dimethylpentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106148133

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 106175930) is N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is NC(=O)C(O)CNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is HZSKRRCBTLHYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-12(18)11(17)7-16-13(19)10-6-15-5-8-3-1-2-4-9(8)10/h1-4,10-11,15,17H,5-7H2,(H2,14,18)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of -1.16, 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-4-carboxamide is sourced from PubChem (CID 106175930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).