2-aminoacetic acid;benzene

C8H11NO2 — CID 23325133

IUPAC2-aminoacetic acid;benzene
SMILESNCC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-6H;1,3H2,(H,4,5)
InChIKeyMFLKUTPWLWYFKI-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.72
Rot. Bonds1

About 2-aminoacetic acid;benzene

2-aminoacetic acid;benzene (PubChem CID 23325133) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-aminoacetic acid;benzene.

Molecular Properties

Compound Name2-aminoacetic acid;benzene
PubChem CID23325133
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-aminoacetic acid;benzene
SMILESNCC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-6H;1,3H2,(H,4,5)
InChIKeyMFLKUTPWLWYFKI-UHFFFAOYSA-N
XLogP0.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;benzene?
The IUPAC name of 2-aminoacetic acid;benzene (CID 23325133) is 2-aminoacetic acid;benzene.
What is the SMILES notation for 2-aminoacetic acid;benzene?
The canonical SMILES for 2-aminoacetic acid;benzene is NCC(=O)O.c1ccccc1.
What is the InChIKey of 2-aminoacetic acid;benzene?
The InChIKey is MFLKUTPWLWYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H5NO2/c1-2-4-6-5-3-1;3-1-2(4)5/h1-6H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;benzene?
2-aminoacetic acid;benzene has a molecular weight of 153.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;benzene is sourced from PubChem (CID 23325133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).