2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid

C9H17N3O2 — CID 22141943

IUPAC2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
SMILESC=CC/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)
InChIKeyLMDRHVQXMBGSGU-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.11
Rot. Bonds7

About 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid

2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid (PubChem CID 22141943) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
PubChem CID22141943
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid
SMILESC=CC/C(N)=N\CCCC(N)C(=O)O
InChIInChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14)
InChIKeyLMDRHVQXMBGSGU-UHFFFAOYSA-N
XLogP0.11
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-5-[[amino(prop-2-enylsulfanyl)methylidene]amino]pentanoic acid
CID 15480439
(2S)-2-amino-5-(1-aminopropylideneamino)pentanoic acid;hydrochloride
CID 90470185
(2S)-2-amino-5-(1-aminobut-3-enylideneamino)-3-methylpentanoic acid
CID 57205815
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;carbonic acid
CID 10198591
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(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
2-amino-5-(diaminomethylideneamino)pentanoic acid;formamide
CID 174953444
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid?
The IUPAC name of 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid (CID 22141943) is 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid is C=CC/C(N)=N\CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid?
The InChIKey is LMDRHVQXMBGSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h2,7H,1,3-6,10H2,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid?
2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-aminobut-3-enylideneamino)pentanoic acid is sourced from PubChem (CID 22141943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).