4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid

C14H18N2O4 — CID 65262532

IUPAC4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
SMILESO=C(O)C(CCO)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H18N2O4/c17-6-5-12(14(19)20)16-13(18)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11-12,15,17H,5-8H2,(H,16,18)(H,19,20)
InChIKeyFIKUTVROBUTSJB-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.17
Rot. Bonds5

About 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid

4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid (PubChem CID 65262532) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
PubChem CID65262532
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
SMILESO=C(O)C(CCO)NC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H18N2O4/c17-6-5-12(14(19)20)16-13(18)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11-12,15,17H,5-8H2,(H,16,18)(H,19,20)
InChIKeyFIKUTVROBUTSJB-UHFFFAOYSA-N
XLogP-0.17
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)hexanoic acid
CID 65262053
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
CID 65262155
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
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
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-4-hydroxybutanoic acid
CID 61243493
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid?
The IUPAC name of 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid (CID 65262532) is 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid is O=C(O)C(CCO)NC(=O)C1CNCc2ccccc21.
What is the InChIKey of 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid?
The InChIKey is FIKUTVROBUTSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-6-5-12(14(19)20)16-13(18)11-8-15-7-9-3-1-2-4-10(9)11/h1-4,11-12,15,17H,5-8H2,(H,16,18)(H,19,20).
What are the key properties of 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid?
4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid is sourced from PubChem (CID 65262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).