(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid

C7H15N3O3 — CID 10261897

IUPAC(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid
SMILESC/C(=N\CCC[C@H](N)C(=O)O)NO
InChIInChI=1S/C7H15N3O3/c1-5(10-13)9-4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyKROQACOVMFREMF-LURJTMIESA-N
MW189.22 g/mol
LogP-0.42
Rot. Bonds5

About (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid

(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid (PubChem CID 10261897) has the molecular formula C7H15N3O3 and a molecular weight of 189.22 g/mol. Its IUPAC name is (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid
PubChem CID10261897
Molecular FormulaC7H15N3O3
Molecular Weight189.22 g/mol
Exact Mass189.11
IUPAC Name(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid
SMILESC/C(=N\CCC[C@H](N)C(=O)O)NO
InChIInChI=1S/C7H15N3O3/c1-5(10-13)9-4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyKROQACOVMFREMF-LURJTMIESA-N
XLogP-0.42
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid (CID 10261897) is (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid is C/C(=N\CCC[C@H](N)C(=O)O)NO.
What is the InChIKey of (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid?
The InChIKey is KROQACOVMFREMF-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O3/c1-5(10-13)9-4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid?
(2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid has a molecular weight of 189.22 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[1-(hydroxyamino)ethylideneamino]pentanoic acid is sourced from PubChem (CID 10261897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).