2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid

C13H15NO2 — CID 70360119

IUPAC2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1c2ccccc2C2CC21
InChIInChI=1S/C13H15NO2/c1-14(7-12(15)16)13-9-5-3-2-4-8(9)10-6-11(10)13/h2-5,10-11,13H,6-7H2,1H3,(H,15,16)
InChIKeyKBOJTSDQJZGHDQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds3

About 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid

2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid (PubChem CID 70360119) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid
PubChem CID70360119
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1c2ccccc2C2CC21
InChIInChI=1S/C13H15NO2/c1-14(7-12(15)16)13-9-5-3-2-4-8(9)10-6-11(10)13/h2-5,10-11,13H,6-7H2,1H3,(H,15,16)
InChIKeyKBOJTSDQJZGHDQ-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid?
The IUPAC name of 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid (CID 70360119) is 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid?
The canonical SMILES for 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid is CN(CC(=O)O)C1c2ccccc2C2CC21.
What is the InChIKey of 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid?
The InChIKey is KBOJTSDQJZGHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14(7-12(15)16)13-9-5-3-2-4-8(9)10-6-11(10)13/h2-5,10-11,13H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid?
2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid has a molecular weight of 217.27 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1a,6,6a-tetrahydrocyclopropa[a]inden-6-yl(methyl)amino]acetic acid is sourced from PubChem (CID 70360119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).