2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid

C12H15NO3 — CID 19840598

IUPAC2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
SMILESNCC1CCOc2c(CC(=O)O)cccc21
InChIInChI=1S/C12H15NO3/c13-7-9-4-5-16-12-8(6-11(14)15)2-1-3-10(9)12/h1-3,9H,4-7,13H2,(H,14,15)
InChIKeyUQYGZECPFMBCCP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds3

About 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid

2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid (PubChem CID 19840598) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
PubChem CID19840598
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid
SMILESNCC1CCOc2c(CC(=O)O)cccc21
InChIInChI=1S/C12H15NO3/c13-7-9-4-5-16-12-8(6-11(14)15)2-1-3-10(9)12/h1-3,9H,4-7,13H2,(H,14,15)
InChIKeyUQYGZECPFMBCCP-UHFFFAOYSA-N
XLogP1.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid (CID 19840598) is 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid is NCC1CCOc2c(CC(=O)O)cccc21.
What is the InChIKey of 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid?
The InChIKey is UQYGZECPFMBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-7-9-4-5-16-12-8(6-11(14)15)2-1-3-10(9)12/h1-3,9H,4-7,13H2,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid?
2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]acetic acid is sourced from PubChem (CID 19840598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).