(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid

C13H16N2O3 — CID 65262155

IUPAC(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CNCc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)11-7-14-6-9-4-2-3-5-10(9)11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,11?/m1/s1
InChIKeyCJVWJZPGBNCWCB-RZZZFEHKSA-N
MW248.28 g/mol
LogP0.46
Rot. Bonds3

About (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid

(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid (PubChem CID 65262155) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
PubChem CID65262155
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid
SMILESC[C@@H](NC(=O)C1CNCc2ccccc21)C(=O)O
InChIInChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)11-7-14-6-9-4-2-3-5-10(9)11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,11?/m1/s1
InChIKeyCJVWJZPGBNCWCB-RZZZFEHKSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260559
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
4-hydroxy-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 65262532
N-(1,1-dimethoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262356
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033
(2S)-2-(2,3-dihydro-1H-indene-1-carbonylamino)propanoic acid
CID 119238189
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)hexanoic acid
CID 65262053
N-pent-4-en-2-yl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 113466553
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
N-(1-thiophen-2-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260418
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid?
The IUPAC name of (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid (CID 65262155) is (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid?
The canonical SMILES for (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid is C[C@@H](NC(=O)C1CNCc2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid?
The InChIKey is CJVWJZPGBNCWCB-RZZZFEHKSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(13(17)18)15-12(16)11-7-14-6-9-4-2-3-5-10(9)11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)/t8-,11?/m1/s1.
What are the key properties of (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid?
(2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)propanoic acid is sourced from PubChem (CID 65262155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).