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

C6H14N4O2 — CID 28782

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IUPAC(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
SMILESNC(N)=[NH+]CCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-N
MW174.20 g/mol
LogP-4.80
Rot. Bonds5

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

(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate (PubChem CID 28782) has the molecular formula C6H14N4O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
PubChem CID28782
Molecular FormulaC6H14N4O2
Molecular Weight174.20 g/mol
Exact Mass174.11
IUPAC Name(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate
SMILESNC(N)=[NH+]CCC[C@H](N)C(=O)[O-]
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-N
XLogP-4.80
TPSA132.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-4.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

L-Arginine
CID 6322
L-Arginine, monohydrochloride
CID 66250
DL-Arginine
CID 232
D-Arginine
CID 71070
Nomega-Hydroxy-L-arginine
CID 123895
DL-arginine hydrochloride
CID 85880
Nomega-hydroxyarginine
CID 440849
L-argininium(2+)
CID 444360
N-hydroxy-L-arginine (NOHA)
CID 9836994
(2S)-2-ammonio-5-(N''-hydroxycarbamimidamido)pentanoate
CID 25799416
Arginine hydrochloride, D-
CID 12326
(S)-2-Amino-5-formimidamidopentanoic acid (7)
CID 54137481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate (CID 28782) is (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate is NC(N)=[NH+]CCC[C@H](N)C(=O)[O-].
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate?
The InChIKey is ODKSFYDXXFIFQN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate?
(2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate has a molecular weight of 174.20 g/mol, XLogP of -4.80, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(diaminomethylideneazaniumyl)pentanoate is sourced from PubChem (CID 28782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).