2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid

C17H23NO3 — CID 63920749

IUPAC2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid
SMILESCNC(COC1CCCc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C17H23NO3/c1-18-17(16(19)20,13-9-10-13)11-21-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,18H,4,6,8-11H2,1H3,(H,19,20)
InChIKeyOMWXDWOOIKLUOB-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.53
Rot. Bonds6

About 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid

2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid (PubChem CID 63920749) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid
PubChem CID63920749
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid
SMILESCNC(COC1CCCc2ccccc21)(C(=O)O)C1CC1
InChIInChI=1S/C17H23NO3/c1-18-17(16(19)20,13-9-10-13)11-21-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,18H,4,6,8-11H2,1H3,(H,19,20)
InChIKeyOMWXDWOOIKLUOB-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)but-2-enoic acid
CID 76940962
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
2-[[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]-methylamino]-N-propan-2-ylacetamide
CID 110882190
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
2-amino-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]acetamide;hydrochloride
CID 119325756
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185393
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid (CID 63920749) is 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid is CNC(COC1CCCc2ccccc21)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid?
The InChIKey is OMWXDWOOIKLUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-18-17(16(19)20,13-9-10-13)11-21-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,18H,4,6,8-11H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid?
2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propanoic acid is sourced from PubChem (CID 63920749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).