amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

C6H15N5O2 — CID 54278665

IUPACamino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNOC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C6H15N5O2/c7-4(5(12)13-10)2-1-3-11-6(8)9/h4H,1-3,7,10H2,(H4,8,9,11)/t4-/m0/s1
InChIKeyRPFOWJXHIVRTRS-BYPYZUCNSA-N
MW189.22 g/mol
LogP-2.22
Rot. Bonds5

About amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (PubChem CID 54278665) has the molecular formula C6H15N5O2 and a molecular weight of 189.22 g/mol. Its IUPAC name is amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Nameamino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
PubChem CID54278665
Molecular FormulaC6H15N5O2
Molecular Weight189.22 g/mol
Exact Mass189.12
IUPAC Nameamino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
SMILESNOC(=O)[C@@H](N)CCCN=C(N)N
InChIInChI=1S/C6H15N5O2/c7-4(5(12)13-10)2-1-3-11-6(8)9/h4H,1-3,7,10H2,(H4,8,9,11)/t4-/m0/s1
InChIKeyRPFOWJXHIVRTRS-BYPYZUCNSA-N
XLogP-2.22
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino 2-amino-6-(diaminomethylideneamino)hexanoate
CID 174392232
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
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
CID 174904347
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
(diamino(114C)methylideneamino) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54219477
acetic acid;methyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175503093
(2S)-2-amino-4-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-4-oxobutanoic acid
CID 57280496
(2S)-2-amino-5-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]oxy-5-oxopentanoic acid
CID 57044405
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372

Frequently Asked Questions

What is the IUPAC name of amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate (CID 54278665) is amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is NOC(=O)[C@@H](N)CCCN=C(N)N.
What is the InChIKey of amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
The InChIKey is RPFOWJXHIVRTRS-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H15N5O2/c7-4(5(12)13-10)2-1-3-11-6(8)9/h4H,1-3,7,10H2,(H4,8,9,11)/t4-/m0/s1.
What are the key properties of amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate?
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate has a molecular weight of 189.22 g/mol, XLogP of -2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 54278665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).