(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride

C8H18ClN3O2 — CID 90470185

IUPAC(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
SMILESCC/C(N)=N\CCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-2-7(10)11-5-3-4-6(9)8(12)13;/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13);1H/t6-;/m0./s1
InChIKeyFADRJPGCWHNIBW-RGMNGODLSA-N
MW223.70 g/mol
LogP0.37
Rot. Bonds6

About (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride

(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride (PubChem CID 90470185) has the molecular formula C8H18ClN3O2 and a molecular weight of 223.70 g/mol. Its IUPAC name is (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
PubChem CID90470185
Molecular FormulaC8H18ClN3O2
Molecular Weight223.70 g/mol
Exact Mass223.11
IUPAC Name(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
SMILESCC/C(N)=N\CCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-2-7(10)11-5-3-4-6(9)8(12)13;/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13);1H/t6-;/m0./s1
InChIKeyFADRJPGCWHNIBW-RGMNGODLSA-N
XLogP0.37
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.37
H-Bond Donors ≤ 53
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

2-amino-5-(diaminomethylideneamino)pentanoic acid;ethanol;hydrochloride
CID 174671345
(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-[(1-amino-2-propylsulfanylethylidene)amino]pentanoic acid;dihydrochloride
CID 45379044
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-propylguanidine
CID 87334568
(2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-aminohexanoic acid
CID 160879747
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
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride (CID 90470185) is (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride is CC/C(N)=N\CCC[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride?
The InChIKey is FADRJPGCWHNIBW-RGMNGODLSA-N. The full InChI is InChI=1S/C8H17N3O2.ClH/c1-2-7(10)11-5-3-4-6(9)8(12)13;/h6H,2-5,9H2,1H3,(H2,10,11)(H,12,13);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride?
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 90470185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).