2-aminoacetic acid;ethane;1,4-xylene

C12H21NO2 — CID 143195135

IUPAC2-aminoacetic acid;ethane;1,4-xylene
SMILESCC.Cc1ccc(C)cc1.NCC(=O)O
InChIInChI=1S/C8H10.C2H5NO2.C2H6/c1-7-3-5-8(2)6-4-7;3-1-2(4)5;1-2/h3-6H,1-2H3;1,3H2,(H,4,5);1-2H3
InChIKeyBTWVSUINEUXQNL-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.36
Rot. Bonds1

About 2-aminoacetic acid;ethane;1,4-xylene

2-aminoacetic acid;ethane;1,4-xylene (PubChem CID 143195135) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-aminoacetic acid;ethane;1,4-xylene.

Molecular Properties

Compound Name2-aminoacetic acid;ethane;1,4-xylene
PubChem CID143195135
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-aminoacetic acid;ethane;1,4-xylene
SMILESCC.Cc1ccc(C)cc1.NCC(=O)O
InChIInChI=1S/C8H10.C2H5NO2.C2H6/c1-7-3-5-8(2)6-4-7;3-1-2(4)5;1-2/h3-6H,1-2H3;1,3H2,(H,4,5);1-2H3
InChIKeyBTWVSUINEUXQNL-UHFFFAOYSA-N
XLogP2.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;ethane;1,4-xylene?
The IUPAC name of 2-aminoacetic acid;ethane;1,4-xylene (CID 143195135) is 2-aminoacetic acid;ethane;1,4-xylene.
What is the SMILES notation for 2-aminoacetic acid;ethane;1,4-xylene?
The canonical SMILES for 2-aminoacetic acid;ethane;1,4-xylene is CC.Cc1ccc(C)cc1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;ethane;1,4-xylene?
The InChIKey is BTWVSUINEUXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C2H5NO2.C2H6/c1-7-3-5-8(2)6-4-7;3-1-2(4)5;1-2/h3-6H,1-2H3;1,3H2,(H,4,5);1-2H3.
What are the key properties of 2-aminoacetic acid;ethane;1,4-xylene?
2-aminoacetic acid;ethane;1,4-xylene has a molecular weight of 211.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;ethane;1,4-xylene is sourced from PubChem (CID 143195135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).