tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride

C7H13NNa4O8 — CID 173055848

IUPACtetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride
SMILESNC(CC(=O)O)C(=O)OC(C(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H9NO8.4Na.4H/c8-2(1-3(9)10)7(15)16-4(5(11)12)6(13)14;;;;;;;;/h2,4H,1,8H2,(H,9,10)(H,11,12)(H,13,14);;;;;;;;/q;4*+1;4*-1
InChIKeyYBMWEZUZFZSMGT-UHFFFAOYSA-N
MW331.14 g/mol
LogP-13.66
Rot. Bonds6

About tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride

tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride (PubChem CID 173055848) has the molecular formula C7H13NNa4O8 and a molecular weight of 331.14 g/mol. Its IUPAC name is tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride.

Molecular Properties

Compound Nametetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride
PubChem CID173055848
Molecular FormulaC7H13NNa4O8
Molecular Weight331.14 g/mol
Exact Mass331.02
IUPAC Nametetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride
SMILESNC(CC(=O)O)C(=O)OC(C(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H9NO8.4Na.4H/c8-2(1-3(9)10)7(15)16-4(5(11)12)6(13)14;;;;;;;;/h2,4H,1,8H2,(H,9,10)(H,11,12)(H,13,14);;;;;;;;/q;4*+1;4*-1
InChIKeyYBMWEZUZFZSMGT-UHFFFAOYSA-N
XLogP-13.66
TPSA164.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 5-13.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 174538201
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CID 20575901
2-aminobutanedioic acid;selane
CID 174828111
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
2-aminobutanedioic acid;molybdenum
CID 76550864
CID 131864134
CID 131864134
3-amino-4-methylsilyloxy-4-oxobutanoic acid
CID 173082181

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride?
The IUPAC name of tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride (CID 173055848) is tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride.
What is the SMILES notation for tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride?
The canonical SMILES for tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride is NC(CC(=O)O)C(=O)OC(C(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride?
The InChIKey is YBMWEZUZFZSMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO8.4Na.4H/c8-2(1-3(9)10)7(15)16-4(5(11)12)6(13)14;;;;;;;;/h2,4H,1,8H2,(H,9,10)(H,11,12)(H,13,14);;;;;;;;/q;4*+1;4*-1.
What are the key properties of tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride?
tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride has a molecular weight of 331.14 g/mol, XLogP of -13.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-(2-amino-3-carboxypropanoyl)oxypropanedioic acid;hydride is sourced from PubChem (CID 173055848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).