acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

C8H19ClN4O4 — CID 175411630

IUPACacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
SMILESCC(=O)O.Cl.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C2H4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4);1H/t4-;;/m0../s1
InChIKeyGMEXKGBHZRGIAL-FHNDMYTFSA-N
MW270.72 g/mol
LogP-1.04
Rot. Bonds5

About acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride

acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride (PubChem CID 175411630) has the molecular formula C8H19ClN4O4 and a molecular weight of 270.72 g/mol. Its IUPAC name is acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Nameacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
PubChem CID175411630
Molecular FormulaC8H19ClN4O4
Molecular Weight270.72 g/mol
Exact Mass270.11
IUPAC Nameacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
SMILESCC(=O)O.Cl.NC(N)=NCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N4O2.C2H4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4);1H/t4-;;/m0../s1
InChIKeyGMEXKGBHZRGIAL-FHNDMYTFSA-N
XLogP-1.04
TPSA165.02 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 5-1.04
H-Bond Donors ≤ 55
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'}

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Related Compounds

(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;acetate
CID 87670814
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminopropanoic acid
CID 21226270
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The IUPAC name of acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride (CID 175411630) is acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride.
What is the SMILES notation for acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The canonical SMILES for acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride is CC(=O)O.Cl.NC(N)=NCCC[C@H](N)C(=O)O.
What is the InChIKey of acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
The InChIKey is GMEXKGBHZRGIAL-FHNDMYTFSA-N. The full InChI is InChI=1S/C6H14N4O2.C2H4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4);1H/t4-;;/m0../s1.
What are the key properties of acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride?
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride has a molecular weight of 270.72 g/mol, XLogP of -1.04, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 175411630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).