2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile

C15H13N3O2 — CID 67008946

IUPAC2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile
SMILESN#Cc1[nH]cc2cc3ccccc3cc12.NCC(=O)O
InChIInChI=1S/C13H8N2.C2H5NO2/c14-7-13-12-6-10-4-2-1-3-9(10)5-11(12)8-15-13;3-1-2(4)5/h1-6,8,15H;1,3H2,(H,4,5)
InChIKeyRDDWONSTNNANQH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.22
Rot. Bonds1

About 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile

2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile (PubChem CID 67008946) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile.

Molecular Properties

Compound Name2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile
PubChem CID67008946
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile
SMILESN#Cc1[nH]cc2cc3ccccc3cc12.NCC(=O)O
InChIInChI=1S/C13H8N2.C2H5NO2/c14-7-13-12-6-10-4-2-1-3-9(10)5-11(12)8-15-13;3-1-2(4)5/h1-6,8,15H;1,3H2,(H,4,5)
InChIKeyRDDWONSTNNANQH-UHFFFAOYSA-N
XLogP2.22
TPSA102.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile?
The IUPAC name of 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile (CID 67008946) is 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile.
What is the SMILES notation for 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile?
The canonical SMILES for 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile is N#Cc1[nH]cc2cc3ccccc3cc12.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile?
The InChIKey is RDDWONSTNNANQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2.C2H5NO2/c14-7-13-12-6-10-4-2-1-3-9(10)5-11(12)8-15-13;3-1-2(4)5/h1-6,8,15H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile?
2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2H-benzo[f]isoindole-3-carbonitrile is sourced from PubChem (CID 67008946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).