2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid

C18H23NO4 — CID 119348210

IUPAC2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C18H23NO4/c1-23-10-9-19(12-16(20)21)17(22)15-11-18(15)8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,15H,4,6,8-12H2,1H3,(H,20,21)
InChIKeyUEVRAAFXYKZUHG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.84
Rot. Bonds6

About 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid

2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid (PubChem CID 119348210) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
PubChem CID119348210
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)C1CC12CCCc1ccccc12
InChIInChI=1S/C18H23NO4/c1-23-10-9-19(12-16(20)21)17(22)15-11-18(15)8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,15H,4,6,8-12H2,1H3,(H,20,21)
InChIKeyUEVRAAFXYKZUHG-UHFFFAOYSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 95782962
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 120685937
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
2-[(2,2-dichlorocyclopropanecarbonyl)-(2-methoxyethyl)amino]acetic acid
CID 115596423
(1'R,4R)-N-[1-(2-methoxyethyl)pyrazol-4-yl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97063111
(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97061520
2-[2-methoxyethyl-(2-methyl-2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 79270269
(2-hydroxyphenyl)-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanone
CID 139114969
(1'S,4S)-N-[4-[methoxy(methyl)carbamoyl]phenyl]spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 99812632

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid (CID 119348210) is 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)C1CC12CCCc1ccccc12.
What is the InChIKey of 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid?
The InChIKey is UEVRAAFXYKZUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-23-10-9-19(12-16(20)21)17(22)15-11-18(15)8-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,15H,4,6,8-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid?
2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid has a molecular weight of 317.39 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid is sourced from PubChem (CID 119348210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).