(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

C7H17N7O2 — CID 54219477

IUPAC(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNC(N)=NCCC[C@H](N)C(=O)ON=[14C](N)N
InChIInChI=1S/C7H17N7O2/c8-4(2-1-3-13-6(9)10)5(15)16-14-7(11)12/h4H,1-3,8H2,(H4,9,10,13)(H4,11,12,14)/t4-/m0/s1/i7+2
InChIKeyQBNXIPHAUQXGHS-UJYLGRPOSA-N
MW233.25 g/mol
LogP-2.90
Rot. Bonds6

About (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 54219477) has the molecular formula C7H17N7O2 and a molecular weight of 233.25 g/mol. Its IUPAC name is (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Name(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID54219477
Molecular FormulaC7H17N7O2
Molecular Weight233.25 g/mol
Exact Mass233.15
IUPAC Name(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNC(N)=NCCC[C@H](N)C(=O)ON=[14C](N)N
InChIInChI=1S/C7H17N7O2/c8-4(2-1-3-13-6(9)10)5(15)16-14-7(11)12/h4H,1-3,8H2,(H4,9,10,13)(H4,11,12,14)/t4-/m0/s1/i7+2
InChIKeyQBNXIPHAUQXGHS-UJYLGRPOSA-N
XLogP-2.90
TPSA181.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-2.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665
aminomethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 139681753
ethyl (2R)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 10130416
ethyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 45073230
ethyl 2-amino-5-(diaminomethylideneamino)pentanoate;dihydrate
CID 175283381
amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269

Frequently Asked Questions

What is the IUPAC name of (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 54219477) is (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is NC(N)=NCCC[C@H](N)C(=O)ON=[14C](N)N.
What is the InChIKey of (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is QBNXIPHAUQXGHS-UJYLGRPOSA-N. The full InChI is InChI=1S/C7H17N7O2/c8-4(2-1-3-13-6(9)10)5(15)16-14-7(11)12/h4H,1-3,8H2,(H4,9,10,13)(H4,11,12,14)/t4-/m0/s1/i7+2.
What are the key properties of (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 233.25 g/mol, XLogP of -2.90, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 54219477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).