3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid

C14H18N2O3 — CID 82584306

IUPAC3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1ccc2c(c1)CNCC2C(=O)NCCC(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-2-3-11-10(6-9)7-15-8-12(11)14(19)16-5-4-13(17)18/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyMTPLAARAACEYHN-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds4

About 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid

3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid (PubChem CID 82584306) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
PubChem CID82584306
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid
SMILESCc1ccc2c(c1)CNCC2C(=O)NCCC(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-2-3-11-10(6-9)7-15-8-12(11)14(19)16-5-4-13(17)18/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyMTPLAARAACEYHN-UHFFFAOYSA-N
XLogP0.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 82584290
(7-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-piperidin-1-ylmethanone
CID 82584286
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261022
N-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584448
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
(4S)-4,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 86326273
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260503
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
3-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 105431846

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid (CID 82584306) is 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid is Cc1ccc2c(c1)CNCC2C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid?
The InChIKey is MTPLAARAACEYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-3-11-10(6-9)7-15-8-12(11)14(19)16-5-4-13(17)18/h2-3,6,12,15H,4-5,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid?
3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyl-1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82584306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).