2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid

C15H19NO3 — CID 63920955

IUPAC2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
SMILESNC(COc1ccc2c(c1)CCC2)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO3/c16-15(14(17)18,12-5-6-12)9-19-13-7-4-10-2-1-3-11(10)8-13/h4,7-8,12H,1-3,5-6,9,16H2,(H,17,18)
InChIKeyCMYGLUVVDCZURA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.75
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid

2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid (PubChem CID 63920955) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
PubChem CID63920955
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid
SMILESNC(COc1ccc2c(c1)CCC2)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO3/c16-15(14(17)18,12-5-6-12)9-19-13-7-4-10-2-1-3-11(10)8-13/h4,7-8,12H,1-3,5-6,9,16H2,(H,17,18)
InChIKeyCMYGLUVVDCZURA-UHFFFAOYSA-N
XLogP1.75
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170442
2-amino-2-cyclopropyl-3-quinolin-7-yloxypropanoic acid
CID 107314695
2-amino-2-cyclopropyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanenitrile
CID 63905910
2-[[3-(2,3-dihydro-1H-inden-5-yloxy)-2,2-dimethylpropanoyl]amino]acetic acid
CID 92922769
ethyl 2-amino-2-cyclopropyl-3-(3,4-dimethylphenoxy)propanoate
CID 63921568
3-[(3S)-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperidin-3-yl]propanoic acid
CID 124700452
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
(E)-4-(2,3-dihydro-1H-inden-5-yloxy)but-2-enoic acid
CID 62344099
3-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 82086851
3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]propanoic acid
CID 60989186
1-(2,3-dihydro-1H-inden-5-yloxy)butan-2-one
CID 62038923

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid (CID 63920955) is 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid is NC(COc1ccc2c(c1)CCC2)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid?
The InChIKey is CMYGLUVVDCZURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c16-15(14(17)18,12-5-6-12)9-19-13-7-4-10-2-1-3-11(10)8-13/h4,7-8,12H,1-3,5-6,9,16H2,(H,17,18).
What are the key properties of 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid?
2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yloxy)propanoic acid is sourced from PubChem (CID 63920955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).