(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc

C6H13ClN4OZn — CID 160575007

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc
SMILESNC(N)=NCCC[C@H](N)C(=O)Cl.[Zn]
InChIInChI=1S/C6H13ClN4O.Zn/c7-5(12)4(8)2-1-3-11-6(9)10;/h4H,1-3,8H2,(H4,9,10,11);/t4-;/m0./s1
InChIKeyRBAKTGBUILSWDP-WCCKRBBISA-N
MW258.04 g/mol
LogP-0.87
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc

(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc (PubChem CID 160575007) has the molecular formula C6H13ClN4OZn and a molecular weight of 258.04 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc
PubChem CID160575007
Molecular FormulaC6H13ClN4OZn
Molecular Weight258.04 g/mol
Exact Mass256.01
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc
SMILESNC(N)=NCCC[C@H](N)C(=O)Cl.[Zn]
InChIInChI=1S/C6H13ClN4O.Zn/c7-5(12)4(8)2-1-3-11-6(9)10;/h4H,1-3,8H2,(H4,9,10,11);/t4-;/m0./s1
InChIKeyRBAKTGBUILSWDP-WCCKRBBISA-N
XLogP-0.87
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.04
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;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

bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
2-[(4S,10S)-4,10-diamino-6,8-dichloro-13-(diaminomethylideneamino)-5,7,9-trioxotridecyl]guanidine
CID 54217718
sodium (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 23693954
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc (CID 160575007) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc is NC(N)=NCCC[C@H](N)C(=O)Cl.[Zn].
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc?
The InChIKey is RBAKTGBUILSWDP-WCCKRBBISA-N. The full InChI is InChI=1S/C6H13ClN4O.Zn/c7-5(12)4(8)2-1-3-11-6(9)10;/h4H,1-3,8H2,(H4,9,10,11);/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc has a molecular weight of 258.04 g/mol, XLogP of -0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl chloride;zinc is sourced from PubChem (CID 160575007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).