2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride

C8H21ClN4O3 — CID 174671345

IUPAC2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
SMILESCCO.Cl.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C2H6O.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,2H2,1H3;1H
InChIKeyQQGCIIGJZMDWNZ-UHFFFAOYSA-N
MW256.73 g/mol
LogP-1.13
Rot. Bonds5

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

2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride (PubChem CID 174671345) has the molecular formula C8H21ClN4O3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
PubChem CID174671345
Molecular FormulaC8H21ClN4O3
Molecular Weight256.73 g/mol
Exact Mass256.13
IUPAC Name2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
SMILESCCO.Cl.NC(N)=NCCCC(N)C(=O)O
InChIInChI=1S/C6H14N4O2.C2H6O.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,2H2,1H3;1H
InChIKeyQQGCIIGJZMDWNZ-UHFFFAOYSA-N
XLogP-1.13
TPSA147.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 5-1.13
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
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethane-1,2-diol
CID 155169115
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
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
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 158065697

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride?
The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride (CID 174671345) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride.
What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride?
The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride is CCO.Cl.NC(N)=NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride?
The InChIKey is QQGCIIGJZMDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C2H6O.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;1-2-3;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,2H2,1H3;1H.
What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride?
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of -1.13, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride is sourced from PubChem (CID 174671345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).