2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid

C14H18N2O3 — CID 104558460

IUPAC2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H18N2O3/c1-2-16(9-13(17)18)14(19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,2,6-9H2,1H3,(H,17,18)
InChIKeyLOSKGHCWIRTCAW-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.88
Rot. Bonds4

About 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid

2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid (PubChem CID 104558460) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
PubChem CID104558460
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C14H18N2O3/c1-2-16(9-13(17)18)14(19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,2,6-9H2,1H3,(H,17,18)
InChIKeyLOSKGHCWIRTCAW-UHFFFAOYSA-N
XLogP0.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489161
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092
2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
2-[2,3-dihydro-1H-isoindole-5-carbonyl(ethyl)amino]acetic acid
CID 112547700
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)pentan-1-one
CID 116612471
N-(2-hydroxy-2-methylpropyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558764
2-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 120686044
N-methyl-N-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558486

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid (CID 104558460) is 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid?
The InChIKey is LOSKGHCWIRTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(9-13(17)18)14(19)12-5-3-4-10-8-15-7-6-11(10)12/h3-5,15H,2,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid?
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 104558460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).