trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride

C7H18Cl2N4O2 — CID 166484368

IUPACtrideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
SMILESCl.Cl.[2H]C([2H])([2H])OC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1/i1D3;;
InChIKeyXQYZOBNLCUAXLF-RLELISFJSA-N
MW264.17 g/mol
LogP-0.62
Rot. Bonds6

About trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride

trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride (PubChem CID 166484368) has the molecular formula C7H18Cl2N4O2 and a molecular weight of 264.17 g/mol. Its IUPAC name is trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride.

Molecular Properties

Compound Nametrideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
PubChem CID166484368
Molecular FormulaC7H18Cl2N4O2
Molecular Weight264.17 g/mol
Exact Mass263.10
IUPAC Nametrideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
SMILESCl.Cl.[2H]C([2H])([2H])OC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1/i1D3;;
InChIKeyXQYZOBNLCUAXLF-RLELISFJSA-N
XLogP-0.62
TPSA116.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride 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

acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
3,3-dihydroxypropyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;hydrochloride
CID 90331954
[dihydroxy(methyl)silyl] 2-amino-5-(diaminomethylideneamino)pentanoate
CID 21304331

Frequently Asked Questions

What is the IUPAC name of trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride?
The IUPAC name of trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride (CID 166484368) is trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride.
What is the SMILES notation for trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride?
The canonical SMILES for trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride is Cl.Cl.[2H]C([2H])([2H])OC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride?
The InChIKey is XQYZOBNLCUAXLF-RLELISFJSA-N. The full InChI is InChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1/i1D3;;.
What are the key properties of trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride?
trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride has a molecular weight of 264.17 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride is sourced from PubChem (CID 166484368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).