2-acetamidoacetate;chromium(3+)

C4H6CrNO3+2 — CID 161474806

IUPAC2-acetamidoacetate;chromium(3+)
SMILESCC(=O)NCC(=O)[O-].[Cr+3]
InChIInChI=1S/C4H7NO3.Cr/c1-3(6)5-2-4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);/q;+3/p-1
InChIKeyWDOMRKMDNFBJJB-UHFFFAOYSA-M
MW168.09 g/mol
LogP-2.13
Rot. Bonds2

About 2-acetamidoacetate;chromium(3+)

2-acetamidoacetate;chromium(3+) (PubChem CID 161474806) has the molecular formula C4H6CrNO3+2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 2-acetamidoacetate;chromium(3+).

Molecular Properties

Compound Name2-acetamidoacetate;chromium(3+)
PubChem CID161474806
Molecular FormulaC4H6CrNO3+2
Molecular Weight168.09 g/mol
Exact Mass167.97
IUPAC Name2-acetamidoacetate;chromium(3+)
SMILESCC(=O)NCC(=O)[O-].[Cr+3]
InChIInChI=1S/C4H7NO3.Cr/c1-3(6)5-2-4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);/q;+3/p-1
InChIKeyWDOMRKMDNFBJJB-UHFFFAOYSA-M
XLogP-2.13
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetylglycine
CID 10972
[(Ammonioacetyl)amino]acetate
CID 1548897
Methyl 2-acetamidoacetate
CID 517966
(Ethylcarbamoyl)formic acid
CID 12583007
N-Ethyl oxamate
CID 23369703
N-acetylglycinate
CID 1550976
(2S)-2-acetamidopropanoate
CID 6926438
N-Propyl oxamate
CID 28064723
Monofluoroacetylglycine
CID 95736
Sodium;2-[(2-aminoacetyl)amino]acetate
CID 23674158
Potassium glycylglycinate
CID 23690492
Potassium acetylglycinate
CID 23696847

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetate;chromium(3+)?
The IUPAC name of 2-acetamidoacetate;chromium(3+) (CID 161474806) is 2-acetamidoacetate;chromium(3+).
What is the SMILES notation for 2-acetamidoacetate;chromium(3+)?
The canonical SMILES for 2-acetamidoacetate;chromium(3+) is CC(=O)NCC(=O)[O-].[Cr+3].
What is the InChIKey of 2-acetamidoacetate;chromium(3+)?
The InChIKey is WDOMRKMDNFBJJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO3.Cr/c1-3(6)5-2-4(7)8;/h2H2,1H3,(H,5,6)(H,7,8);/q;+3/p-1.
What are the key properties of 2-acetamidoacetate;chromium(3+)?
2-acetamidoacetate;chromium(3+) has a molecular weight of 168.09 g/mol, XLogP of -2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetate;chromium(3+) is sourced from PubChem (CID 161474806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).