2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid

C22H25NO5 — CID 119197661

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)C2CCCc3ccccc32)cc(OC)c1
InChIInChI=1S/C22H25NO5/c1-27-17-10-15(11-18(12-17)28-2)13-23(14-21(24)25)22(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,24,25)
InChIKeyOQXBVLGIUYYHNM-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.24
Rot. Bonds7

About 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid (PubChem CID 119197661) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid
PubChem CID119197661
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)C2CCCc3ccccc32)cc(OC)c1
InChIInChI=1S/C22H25NO5/c1-27-17-10-15(11-18(12-17)28-2)13-23(14-21(24)25)22(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,24,25)
InChIKeyOQXBVLGIUYYHNM-UHFFFAOYSA-N
XLogP3.24
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[2,3-dihydro-1H-indene-1-carbonyl(2-phenylethyl)amino]acetic acid
CID 119347606
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
N,N-bis(2-hydroxyethyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 61233966
2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 120518081
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559572
1-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65446449
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid (CID 119197661) is 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)C2CCCc3ccccc32)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid?
The InChIKey is OQXBVLGIUYYHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-27-17-10-15(11-18(12-17)28-2)13-23(14-21(24)25)22(26)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-12,20H,5,7,9,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid has a molecular weight of 383.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 119197661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).