2-aminoacetic acid;cerium;cyclohexanecarboxylic acid

C9H17CeNO4 — CID 171776246

IUPAC2-aminoacetic acid;cerium;cyclohexanecarboxylic acid
SMILESNCC(=O)O.O=C(O)C1CCCCC1.[Ce]
InChIInChI=1S/C7H12O2.C2H5NO2.Ce/c8-7(9)6-4-2-1-3-5-6;3-1-2(4)5;/h6H,1-5H2,(H,8,9);1,3H2,(H,4,5);
InChIKeyMKGBKJCYQFSTDO-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.68
Rot. Bonds2

About 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid

2-aminoacetic acid;cerium;cyclohexanecarboxylic acid (PubChem CID 171776246) has the molecular formula C9H17CeNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;cerium;cyclohexanecarboxylic acid
PubChem CID171776246
Molecular FormulaC9H17CeNO4
Molecular Weight343.35 g/mol
Exact Mass343.02
IUPAC Name2-aminoacetic acid;cerium;cyclohexanecarboxylic acid
SMILESNCC(=O)O.O=C(O)C1CCCCC1.[Ce]
InChIInChI=1S/C7H12O2.C2H5NO2.Ce/c8-7(9)6-4-2-1-3-5-6;3-1-2(4)5;/h6H,1-5H2,(H,8,9);1,3H2,(H,4,5);
InChIKeyMKGBKJCYQFSTDO-UHFFFAOYSA-N
XLogP0.68
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 53471629
CID 53471629
cyclopentanecarboxylic acid
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cyclopentanecarboxylic acid;indigane
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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid?
The IUPAC name of 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid (CID 171776246) is 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid?
The canonical SMILES for 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid is NCC(=O)O.O=C(O)C1CCCCC1.[Ce].
What is the InChIKey of 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid?
The InChIKey is MKGBKJCYQFSTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C2H5NO2.Ce/c8-7(9)6-4-2-1-3-5-6;3-1-2(4)5;/h6H,1-5H2,(H,8,9);1,3H2,(H,4,5);.
What are the key properties of 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid?
2-aminoacetic acid;cerium;cyclohexanecarboxylic acid has a molecular weight of 343.35 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;cerium;cyclohexanecarboxylic acid is sourced from PubChem (CID 171776246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).