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

C8H17N3O3 — CID 12072044

IUPAC2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid
SMILESC/C(=N\CCCC(C)(N)C(=O)O)NO
InChIInChI=1S/C8H17N3O3/c1-6(11-14)10-5-3-4-8(2,9)7(12)13/h14H,3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyXSLARSORDJXEEY-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.03
Rot. Bonds5

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

2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid (PubChem CID 12072044) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid
PubChem CID12072044
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid
SMILESC/C(=N\CCCC(C)(N)C(=O)O)NO
InChIInChI=1S/C8H17N3O3/c1-6(11-14)10-5-3-4-8(2,9)7(12)13/h14H,3-5,9H2,1-2H3,(H,10,11)(H,12,13)
InChIKeyXSLARSORDJXEEY-UHFFFAOYSA-N
XLogP-0.03
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.03
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'}

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Related Compounds

2-Methylarginine
CID 124684
(S)-2-Amino-5-(3-methylbutanimidamido)pentanoic acid (11)
CID 91937851
2-(S)-Amino-5-[(N-hydroxy-acetimidoyl)-amino]-pentanoic acid
CID 10261897
(R)-5-Acetimidoylamino-2-(S)-amino-3-methyl-pentanoic acid
CID 44402453
2-methyl-D,L-arginine
CID 3611607
2-Amino-7-(1-aminoethylideneamino)-2-methylhept-5-ynoic acid
CID 9857025
(2S)-2-amino-7-(1-aminoethylideneamino)-2-methylhept-5-ynoic acid
CID 9857027
2-Amino-6-[1-(hydroxyamino)ethylideneamino]-2-methylhexanoic acid
CID 12072045
5-(1-Aminoethylideneamino)-2-methylpentanoic acid
CID 18715764
2-methyl-D,L-arginine hydrochloride
CID 18768034
(2S)-5-(diaminomethylideneamino)-2-(hydroxyamino)-2-methylpentanoic acid
CID 23519691
(2S)-2-amino-6-[1-(hydroxyamino)ethylideneamino]-2-methylhexanoic acid
CID 53876088

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid?
The IUPAC name of 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid (CID 12072044) is 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid is C/C(=N\CCCC(C)(N)C(=O)O)NO.
What is the InChIKey of 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid?
The InChIKey is XSLARSORDJXEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-6(11-14)10-5-3-4-8(2,9)7(12)13/h14H,3-5,9H2,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid?
2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(hydroxyamino)ethylideneamino]-2-methylpentanoic acid is sourced from PubChem (CID 12072044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).