2-[bis(carboxymethyl)amino]acetic acid;cerium

C6H9CeNO6 — CID 88686592

IUPAC2-[bis(carboxymethyl)amino]acetic acid;cerium
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.[Ce]
InChIInChI=1S/C6H9NO6.Ce/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);
InChIKeyZFUHALRMGHCZBM-UHFFFAOYSA-N
MW331.26 g/mol
LogP-1.46
Rot. Bonds6

About 2-[bis(carboxymethyl)amino]acetic acid;cerium

2-[bis(carboxymethyl)amino]acetic acid;cerium (PubChem CID 88686592) has the molecular formula C6H9CeNO6 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[bis(carboxymethyl)amino]acetic acid;cerium.

Molecular Properties

Compound Name2-[bis(carboxymethyl)amino]acetic acid;cerium
PubChem CID88686592
Molecular FormulaC6H9CeNO6
Molecular Weight331.26 g/mol
Exact Mass330.95
IUPAC Name2-[bis(carboxymethyl)amino]acetic acid;cerium
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.[Ce]
InChIInChI=1S/C6H9NO6.Ce/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);
InChIKeyZFUHALRMGHCZBM-UHFFFAOYSA-N
XLogP-1.46
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(carboxymethyl)amino]acetic acid
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bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
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azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
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2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
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CID 162336121
azane;2-[bis(hydroxymethyl)amino]acetic acid
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CID 131881711
azane;2-[[bis(carboxymethyl)amino]methyl-(carboxymethyl)amino]acetic acid
CID 173034412
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
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CID 118382822

Frequently Asked Questions

What is the IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;cerium?
The IUPAC name of 2-[bis(carboxymethyl)amino]acetic acid;cerium (CID 88686592) is 2-[bis(carboxymethyl)amino]acetic acid;cerium.
What is the SMILES notation for 2-[bis(carboxymethyl)amino]acetic acid;cerium?
The canonical SMILES for 2-[bis(carboxymethyl)amino]acetic acid;cerium is O=C(O)CN(CC(=O)O)CC(=O)O.[Ce].
What is the InChIKey of 2-[bis(carboxymethyl)amino]acetic acid;cerium?
The InChIKey is ZFUHALRMGHCZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO6.Ce/c8-4(9)1-7(2-5(10)11)3-6(12)13;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);.
What are the key properties of 2-[bis(carboxymethyl)amino]acetic acid;cerium?
2-[bis(carboxymethyl)amino]acetic acid;cerium has a molecular weight of 331.26 g/mol, XLogP of -1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(carboxymethyl)amino]acetic acid;cerium is sourced from PubChem (CID 88686592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).