(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride

C10H23Cl2N3O2S — CID 45379044

IUPAC(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride
SMILESCCCSC/C(N)=N\CCC[C@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C10H21N3O2S.2ClH/c1-2-6-16-7-9(12)13-5-3-4-8(11)10(14)15;;/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15);2*1H/t8-;;/m0../s1
InChIKeyALJGFXJKQAOTFC-JZGIKJSDSA-N
MW320.29 g/mol
LogP1.52
Rot. Bonds9

About (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride

(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride (PubChem CID 45379044) has the molecular formula C10H23Cl2N3O2S and a molecular weight of 320.29 g/mol. Its IUPAC name is (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride
PubChem CID45379044
Molecular FormulaC10H23Cl2N3O2S
Molecular Weight320.29 g/mol
Exact Mass319.09
IUPAC Name(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride
SMILESCCCSC/C(N)=N\CCC[C@H](N)C(=O)O.Cl.Cl
InChIInChI=1S/C10H21N3O2S.2ClH/c1-2-6-16-7-9(12)13-5-3-4-8(11)10(14)15;;/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15);2*1H/t8-;;/m0../s1
InChIKeyALJGFXJKQAOTFC-JZGIKJSDSA-N
XLogP1.52
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
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

(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-[[amino(ethylsulfanyl)methylidene]amino]pentanoic acid
CID 22507208
acetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride
CID 175411630
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-2-ethylbutanoic acid
CID 87963131
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride?
The IUPAC name of (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride (CID 45379044) is (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride?
The canonical SMILES for (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride is CCCSC/C(N)=N\CCC[C@H](N)C(=O)O.Cl.Cl.
What is the InChIKey of (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride?
The InChIKey is ALJGFXJKQAOTFC-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H21N3O2S.2ClH/c1-2-6-16-7-9(12)13-5-3-4-8(11)10(14)15;;/h8H,2-7,11H2,1H3,(H2,12,13)(H,14,15);2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride?
(2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride has a molecular weight of 320.29 g/mol, XLogP of 1.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride is sourced from PubChem (CID 45379044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).