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

C15H18N2O3 — CID 65262150

IUPAC2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CNCc2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-17(11-5-6-11)15(20)13-8-16-7-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,18,19)
InChIKeyVYHPFHCPEJMEQQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.95
Rot. Bonds4

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

2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid (PubChem CID 65262150) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
PubChem CID65262150
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1CNCc2ccccc21)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)9-17(11-5-6-11)15(20)13-8-16-7-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,18,19)
InChIKeyVYHPFHCPEJMEQQ-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic 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

N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262335
2-[2-methylpropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
CID 65262446
N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262216
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260376
4-[methyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]butanoic acid
CID 65261957
2-[cyclopropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 104896313
N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260840
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
2-[cyclopropyl(2,3-dihydro-1H-indole-2-carbonyl)amino]acetic acid
CID 76894224
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
methyl 2-[propan-2-yl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetate
CID 65262240
2-cyclobutyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)ethanone
CID 116573329

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid (CID 65262150) is 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)C1CNCc2ccccc21)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
The InChIKey is VYHPFHCPEJMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)9-17(11-5-6-11)15(20)13-8-16-7-10-3-1-2-4-12(10)13/h1-4,11,13,16H,5-9H2,(H,18,19).
What are the key properties of 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid?
2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65262150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).