2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid

C16H22N2O3 — CID 65262446

IUPAC2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)9-18(10-15(19)20)16(21)14-8-17-7-12-5-3-4-6-13(12)14/h3-6,11,14,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyOTKYTLHKLWWURV-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds5

About 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid

2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid (PubChem CID 65262446) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
PubChem CID65262446
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CNCc2ccccc21
InChIInChI=1S/C16H22N2O3/c1-11(2)9-18(10-15(19)20)16(21)14-8-17-7-12-5-3-4-6-13(12)14/h3-6,11,14,17H,7-10H2,1-2H3,(H,19,20)
InChIKeyOTKYTLHKLWWURV-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
CID 65262150
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262216
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
4-[methyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]butanoic acid
CID 65261957
methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 65262240
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262336
3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)pentan-1-one
CID 116573323
N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260840
N-(2-methylpropoxy)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82722789
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65261033

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid (CID 65262446) is 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CNCc2ccccc21.
What is the InChIKey of 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The InChIKey is OTKYTLHKLWWURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)9-18(10-15(19)20)16(21)14-8-17-7-12-5-3-4-6-13(12)14/h3-6,11,14,17H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65262446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).