carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99

C9H9NO9Tc — CID 76964784

IUPACcarbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99
SMILESO=C([O-])CN[C@@H](CC(=O)[O-])C(=O)[O-].[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H+].[H+].[H+]
InChIInChI=1S/C6H9NO6.3CO.Tc/c8-4(9)1-3(6(12)13)7-2-5(10)11;3*1-2;/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);;;;/t3-;;;;/m0..../s1/i;;;;1+1
InChIKeyRRYRFEWBYKSNTQ-HVVJSBGQSA-N
MW374.08 g/mol
LogP-5.19
Rot. Bonds6

About carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99

carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99 (PubChem CID 76964784) has the molecular formula C9H9NO9Tc and a molecular weight of 374.08 g/mol. Its IUPAC name is carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99.

Molecular Properties

Compound Namecarbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99
PubChem CID76964784
Molecular FormulaC9H9NO9Tc
Molecular Weight374.08 g/mol
Exact Mass373.93
IUPAC Namecarbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99
SMILESO=C([O-])CN[C@@H](CC(=O)[O-])C(=O)[O-].[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H+].[H+].[H+]
InChIInChI=1S/C6H9NO6.3CO.Tc/c8-4(9)1-3(6(12)13)7-2-5(10)11;3*1-2;/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);;;;/t3-;;;;/m0..../s1/i;;;;1+1
InChIKeyRRYRFEWBYKSNTQ-HVVJSBGQSA-N
XLogP-5.19
TPSA192.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 5-5.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

disodium;(2S)-2-(2,2-dihydroxyethylamino)butanedioate
CID 139890235
bis(cobalt(2+));2-(1,2-dicarboxylatoethylamino)butanedioate
CID 175697407
2-(1,2-dicarboxylatoethylamino)butanedioate;bis(manganese(2+))
CID 87472232
dicalcium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 176895513
calcium;magnesium;2-(1,2-dicarboxylatoethylamino)butanedioate
CID 87157443
(2S)-2-(carbamoylamino)butanedioate
CID 5460257
disodium;2-(dodecylamino)butanedioate
CID 101484002
calcium 2-(carbamoylamino)butanedioate
CID 156759447
calcium;sodium;2-[(2-carboxy-1-carboxylatoethyl)amino]butanedioate
CID 175697415
2-[(2-aminoacetyl)amino]butanedioate
CID 22257641
disodium;4-amino-2-[2-[2-(carboxylatomethylamino)ethylamino]ethylamino]-4-oxobutanoate
CID 159111471
disodium;(2S)-2-[[(E)-4-oxopent-2-en-2-yl]amino]butanedioate
CID 88658660

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99?
The IUPAC name of carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99 (CID 76964784) is carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99.
What is the SMILES notation for carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99?
The canonical SMILES for carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99 is O=C([O-])CN[C@@H](CC(=O)[O-])C(=O)[O-].[99Tc].[C-]#[O+].[C-]#[O+].[C-]#[O+].[H+].[H+].[H+].
What is the InChIKey of carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99?
The InChIKey is RRYRFEWBYKSNTQ-HVVJSBGQSA-N. The full InChI is InChI=1S/C6H9NO6.3CO.Tc/c8-4(9)1-3(6(12)13)7-2-5(10)11;3*1-2;/h3,7H,1-2H2,(H,8,9)(H,10,11)(H,12,13);;;;/t3-;;;;/m0..../s1/i;;;;1+1.
What are the key properties of carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99?
carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99 has a molecular weight of 374.08 g/mol, XLogP of -5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;(2S)-2-(carboxylatomethylamino)butanedioate;hydron;technetium-99 is sourced from PubChem (CID 76964784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).