(2E)-5-amino-2-hydroxyiminopentanoic acid

C5H10N2O3 — CID 15030766

IUPAC(2E)-5-amino-2-hydroxyiminopentanoic acid
SMILESNCCC/C(=N\O)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3-1-2-4(7-10)5(8)9/h10H,1-3,6H2,(H,8,9)/b7-4+
InChIKeyUTKFTXUGNQSCHI-QPJJXVBHSA-N
MW146.15 g/mol
LogP-0.36
Rot. Bonds4

About (2E)-5-amino-2-hydroxyiminopentanoic acid

(2E)-5-amino-2-hydroxyiminopentanoic acid (PubChem CID 15030766) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2E)-5-amino-2-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name(2E)-5-amino-2-hydroxyiminopentanoic acid
PubChem CID15030766
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2E)-5-amino-2-hydroxyiminopentanoic acid
SMILESNCCC/C(=N\O)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-3-1-2-4(7-10)5(8)9/h10H,1-3,6H2,(H,8,9)/b7-4+
InChIKeyUTKFTXUGNQSCHI-QPJJXVBHSA-N
XLogP-0.36
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-aminobutanoic acid;dihydrochloride
CID 87111723
(2Z,4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 15030767
(4R)-5-amino-4-hydroxy-2-hydroxyiminopentanoic acid
CID 57348575
potassium;4-aminobutanoic acid;hydride
CID 173078667
4-aminobutanoic acid;urea
CID 87654258
(2E)-3-(diaminomethylideneamino)-2-hydroxyiminopropanoic acid
CID 118493104
sodium;butanedioic acid;hydride;2-hydroxyiminobutanedioic acid
CID 172995218
8-amino-2-oxooctanoic acid
CID 87379118
acetic acid;propane-1,3-diamine
CID 158444659
3-aminopropanoic acid;nitrous acid
CID 25232620
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241

Frequently Asked Questions

What is the IUPAC name of (2E)-5-amino-2-hydroxyiminopentanoic acid?
The IUPAC name of (2E)-5-amino-2-hydroxyiminopentanoic acid (CID 15030766) is (2E)-5-amino-2-hydroxyiminopentanoic acid.
What is the SMILES notation for (2E)-5-amino-2-hydroxyiminopentanoic acid?
The canonical SMILES for (2E)-5-amino-2-hydroxyiminopentanoic acid is NCCC/C(=N\O)C(=O)O.
What is the InChIKey of (2E)-5-amino-2-hydroxyiminopentanoic acid?
The InChIKey is UTKFTXUGNQSCHI-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-3-1-2-4(7-10)5(8)9/h10H,1-3,6H2,(H,8,9)/b7-4+.
What are the key properties of (2E)-5-amino-2-hydroxyiminopentanoic acid?
(2E)-5-amino-2-hydroxyiminopentanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-amino-2-hydroxyiminopentanoic acid is sourced from PubChem (CID 15030766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).