(2S)-2-(carbamoylamino)pentanedioic acid;zinc

C6H10N2O5Zn — CID 174598695

IUPAC(2S)-2-(carbamoylamino)pentanedioic acid;zinc
SMILESNC(=O)N[C@@H](CCC(=O)O)C(=O)O.[Zn]
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);/t3-;/m0./s1
InChIKeyMRSHYMQOEYELHN-DFWYDOINSA-N
MW255.54 g/mol
LogP-1.03
Rot. Bonds5

About (2S)-2-(carbamoylamino)pentanedioic acid;zinc

(2S)-2-(carbamoylamino)pentanedioic acid;zinc (PubChem CID 174598695) has the molecular formula C6H10N2O5Zn and a molecular weight of 255.54 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)pentanedioic acid;zinc.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)pentanedioic acid;zinc
PubChem CID174598695
Molecular FormulaC6H10N2O5Zn
Molecular Weight255.54 g/mol
Exact Mass253.99
IUPAC Name(2S)-2-(carbamoylamino)pentanedioic acid;zinc
SMILESNC(=O)N[C@@H](CCC(=O)O)C(=O)O.[Zn]
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);/t3-;/m0./s1
InChIKeyMRSHYMQOEYELHN-DFWYDOINSA-N
XLogP-1.03
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.54
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
4-(carbamoylamino)-5-hydrazinyl-5-oxopentanoic acid
CID 139469955
2-(chloromethoxycarbonylamino)pentanedioic acid
CID 150490769
(2R)-2-acetamidopentanedioic acid
CID 161394708
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-(propanoylamino)pentanedioic acid
CID 10436353
2-[(2,4-diamino-4-oxobutanoyl)amino]pentanedioic acid
CID 18218179
(2S)-2-(carbamoylamino)pentanedioic acid;3-(4-hydroxy-3-phosphanylphenyl)propanoic acid
CID 143672053
(2S)-2-[[10-[[(1S)-1,3-dicarboxypropyl]amino]-10-oxodecanoyl]amino]pentanedioic acid
CID 92974928
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)pentanedioic acid;zinc?
The IUPAC name of (2S)-2-(carbamoylamino)pentanedioic acid;zinc (CID 174598695) is (2S)-2-(carbamoylamino)pentanedioic acid;zinc.
What is the SMILES notation for (2S)-2-(carbamoylamino)pentanedioic acid;zinc?
The canonical SMILES for (2S)-2-(carbamoylamino)pentanedioic acid;zinc is NC(=O)N[C@@H](CCC(=O)O)C(=O)O.[Zn].
What is the InChIKey of (2S)-2-(carbamoylamino)pentanedioic acid;zinc?
The InChIKey is MRSHYMQOEYELHN-DFWYDOINSA-N. 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);/t3-;/m0./s1.
What are the key properties of (2S)-2-(carbamoylamino)pentanedioic acid;zinc?
(2S)-2-(carbamoylamino)pentanedioic acid;zinc has a molecular weight of 255.54 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)pentanedioic acid;zinc is sourced from PubChem (CID 174598695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).