zinc (2S)-2-(carbamoylamino)pentanedioate

C6H8N2O5Zn — CID 175394718

IUPACzinc (2S)-2-(carbamoylamino)pentanedioate
SMILESNC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C6H10N2O5.Zn/c7-6(13)8-3(5(11)12)1-2-4(9)10;/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13);/q;+2/p-2/t3-;/m0./s1
InChIKeyQDRJXUBGJYBJNG-DFWYDOINSA-L
MW253.53 g/mol
LogP-3.70
Rot. Bonds5

About zinc (2S)-2-(carbamoylamino)pentanedioate

zinc (2S)-2-(carbamoylamino)pentanedioate (PubChem CID 175394718) has the molecular formula C6H8N2O5Zn and a molecular weight of 253.53 g/mol. Its IUPAC name is zinc (2S)-2-(carbamoylamino)pentanedioate.

Molecular Properties

Compound Namezinc (2S)-2-(carbamoylamino)pentanedioate
PubChem CID175394718
Molecular FormulaC6H8N2O5Zn
Molecular Weight253.53 g/mol
Exact Mass251.97
IUPAC Namezinc (2S)-2-(carbamoylamino)pentanedioate
SMILESNC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Zn+2]
InChIInChI=1S/C6H10N2O5.Zn/c7-6(13)8-3(5(11)12)1-2-4(9)10;/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13);/q;+2/p-2/t3-;/m0./s1
InChIKeyQDRJXUBGJYBJNG-DFWYDOINSA-L
XLogP-3.70
TPSA135.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.53
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tetralithium;(2S)-2-[[2-[[(1S)-1,3-dicarboxylatopropyl]amino]-2-oxoacetyl]amino]pentanedioate
CID 162517555
(2S)-2-(carbamoylamino)butanedioate
CID 5460257
disodium;2-acetamidopentanedioate
CID 18539436
calcium 2-(carbamoylamino)butanedioate
CID 156759447
disodium;(2S)-2-(hydroxyamino)pentanedioate
CID 87933106
(2S)-4-amino-2-(carbamoylamino)-4-oxobutanoate
CID 7319306
(2S)-2,6-bis(carbamoylamino)hexanoate
CID 2512810
disodium;(2S)-2-(3-sulfanylpropanoylamino)pentanedioate
CID 86593470
sodium 2-(carbamoylamino)-4-hydroxy-4-oxobutanoate
CID 155673077
disodium;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102136496
(2S)-2-[[2-[[(2S)-2-amino-3-carboxylatopropanoyl]amino]acetyl]amino]pentanedioate
CID 119058130
sodium;(2S)-2-[(4-aminobenzoyl)amino]pentanedioate;hydron
CID 86278232

Frequently Asked Questions

What is the IUPAC name of zinc (2S)-2-(carbamoylamino)pentanedioate?
The IUPAC name of zinc (2S)-2-(carbamoylamino)pentanedioate (CID 175394718) is zinc (2S)-2-(carbamoylamino)pentanedioate.
What is the SMILES notation for zinc (2S)-2-(carbamoylamino)pentanedioate?
The canonical SMILES for zinc (2S)-2-(carbamoylamino)pentanedioate is NC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Zn+2].
What is the InChIKey of zinc (2S)-2-(carbamoylamino)pentanedioate?
The InChIKey is QDRJXUBGJYBJNG-DFWYDOINSA-L. The full InChI is InChI=1S/C6H10N2O5.Zn/c7-6(13)8-3(5(11)12)1-2-4(9)10;/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13);/q;+2/p-2/t3-;/m0./s1.
What are the key properties of zinc (2S)-2-(carbamoylamino)pentanedioate?
zinc (2S)-2-(carbamoylamino)pentanedioate has a molecular weight of 253.53 g/mol, XLogP of -3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc (2S)-2-(carbamoylamino)pentanedioate is sourced from PubChem (CID 175394718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).