bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc

C12H26N6O6Zn — CID 166523784

IUPACbis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
SMILESNC(=O)NCCC[C@H](N)C(=O)O.NC(=O)NCCC[C@H](N)C(=O)O.[Zn]
InChIInChI=1S/2C6H13N3O3.Zn/c2*7-4(5(10)11)2-1-3-9-6(8)12;/h2*4H,1-3,7H2,(H,10,11)(H3,8,9,12);/t2*4-;/m00./s1
InChIKeyMTFNOYMJCRARPO-SCGRZTRASA-N
MW415.77 g/mol
LogP-2.31
Rot. Bonds10

About bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc (PubChem CID 166523784) has the molecular formula C12H26N6O6Zn and a molecular weight of 415.77 g/mol. Its IUPAC name is bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc.

Molecular Properties

Compound Namebis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
PubChem CID166523784
Molecular FormulaC12H26N6O6Zn
Molecular Weight415.77 g/mol
Exact Mass414.12
IUPAC Namebis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
SMILESNC(=O)NCCC[C@H](N)C(=O)O.NC(=O)NCCC[C@H](N)C(=O)O.[Zn]
InChIInChI=1S/2C6H13N3O3.Zn/c2*7-4(5(10)11)2-1-3-9-6(8)12;/h2*4H,1-3,7H2,(H,10,11)(H3,8,9,12);/t2*4-;/m00./s1
InChIKeyMTFNOYMJCRARPO-SCGRZTRASA-N
XLogP-2.31
TPSA236.88 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.77
LogP ≤ 5-2.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109
bis(2-amino-5-(carbamoylamino)pentanoic acid);2-hydroxybutanedioic acid
CID 46189968
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;2-amino-4-(diaminomethylideneamino)oxybutanoic acid
CID 88741926
2-amino-5-(carbamoylamino)-5,5-dideuteriopentanoic acid
CID 46932128
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diaminopentanoic acid
CID 122669620

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc?
The IUPAC name of bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc (CID 166523784) is bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc.
What is the SMILES notation for bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc?
The canonical SMILES for bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc is NC(=O)NCCC[C@H](N)C(=O)O.NC(=O)NCCC[C@H](N)C(=O)O.[Zn].
What is the InChIKey of bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc?
The InChIKey is MTFNOYMJCRARPO-SCGRZTRASA-N. The full InChI is InChI=1S/2C6H13N3O3.Zn/c2*7-4(5(10)11)2-1-3-9-6(8)12;/h2*4H,1-3,7H2,(H,10,11)(H3,8,9,12);/t2*4-;/m00./s1.
What are the key properties of bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc?
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc has a molecular weight of 415.77 g/mol, XLogP of -2.31, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc is sourced from PubChem (CID 166523784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).