(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide

C6H13BrN4O — CID 148549372

IUPAC(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
SMILESNC(N)=NCCC[C@H](N)C(=O)Br
InChIInChI=1S/C6H13BrN4O/c7-5(12)4(8)2-1-3-11-6(9)10/h4H,1-3,8H2,(H4,9,10,11)/t4-/m0/s1
InChIKeyRBZALASPACIGRE-BYPYZUCNSA-N
MW237.10 g/mol
LogP-0.71
Rot. Bonds5

About (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide

(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide (PubChem CID 148549372) has the molecular formula C6H13BrN4O and a molecular weight of 237.10 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide.

Molecular Properties

Compound Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
PubChem CID148549372
Molecular FormulaC6H13BrN4O
Molecular Weight237.10 g/mol
Exact Mass236.03
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
SMILESNC(N)=NCCC[C@H](N)C(=O)Br
InChIInChI=1S/C6H13BrN4O/c7-5(12)4(8)2-1-3-11-6(9)10/h4H,1-3,8H2,(H4,9,10,11)/t4-/m0/s1
InChIKeyRBZALASPACIGRE-BYPYZUCNSA-N
XLogP-0.71
TPSA107.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 5-0.71
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoate);cobalt(2+)
CID 87871094
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
amino (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 54278665

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide?
The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide (CID 148549372) is (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide.
What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide?
The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide is NC(N)=NCCC[C@H](N)C(=O)Br.
What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide?
The InChIKey is RBZALASPACIGRE-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H13BrN4O/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 bromide?
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide has a molecular weight of 237.10 g/mol, XLogP of -0.71, 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 bromide is sourced from PubChem (CID 148549372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).