2-amino-3-hydroxyiminopentanedioic acid

C5H8N2O5 — CID 175302884

IUPAC2-amino-3-hydroxyiminopentanedioic acid
SMILESNC(C(=O)O)C(CC(=O)O)=NO
InChIInChI=1S/C5H8N2O5/c6-4(5(10)11)2(7-12)1-3(8)9/h4,12H,1,6H2,(H,8,9)(H,10,11)
InChIKeyJCSWQNQALJIQLM-UHFFFAOYSA-N
MW176.13 g/mol
LogP-1.30
Rot. Bonds4

About 2-amino-3-hydroxyiminopentanedioic acid

2-amino-3-hydroxyiminopentanedioic acid (PubChem CID 175302884) has the molecular formula C5H8N2O5 and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-amino-3-hydroxyiminopentanedioic acid.

Molecular Properties

Compound Name2-amino-3-hydroxyiminopentanedioic acid
PubChem CID175302884
Molecular FormulaC5H8N2O5
Molecular Weight176.13 g/mol
Exact Mass176.04
IUPAC Name2-amino-3-hydroxyiminopentanedioic acid
SMILESNC(C(=O)O)C(CC(=O)O)=NO
InChIInChI=1S/C5H8N2O5/c6-4(5(10)11)2(7-12)1-3(8)9/h4,12H,1,6H2,(H,8,9)(H,10,11)
InChIKeyJCSWQNQALJIQLM-UHFFFAOYSA-N
XLogP-1.30
TPSA133.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-amino-3-(oxomethylidene)pentanedioic acid
CID 160847683
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
(2S)-2-aminopropanoic acid;2-oxobutanedioic acid
CID 20745573
(7E,8S)-8-amino-7-hydroxyimino-9-methyldecanoic acid
CID 11333700
2-(3,3-diaminopropylamino)acetic acid
CID 150012608
hydroxylamine;propanedioic acid;vanadium
CID 174908586
4-amino-3-oxopentanoic acid
CID 134247354
propanedioic acid;terbium
CID 87785742
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
(2S)-2,5-diamino-5-oxopentanoic acid;propanedioic acid
CID 159876263

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxyiminopentanedioic acid?
The IUPAC name of 2-amino-3-hydroxyiminopentanedioic acid (CID 175302884) is 2-amino-3-hydroxyiminopentanedioic acid.
What is the SMILES notation for 2-amino-3-hydroxyiminopentanedioic acid?
The canonical SMILES for 2-amino-3-hydroxyiminopentanedioic acid is NC(C(=O)O)C(CC(=O)O)=NO.
What is the InChIKey of 2-amino-3-hydroxyiminopentanedioic acid?
The InChIKey is JCSWQNQALJIQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5/c6-4(5(10)11)2(7-12)1-3(8)9/h4,12H,1,6H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-hydroxyiminopentanedioic acid?
2-amino-3-hydroxyiminopentanedioic acid has a molecular weight of 176.13 g/mol, XLogP of -1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxyiminopentanedioic acid is sourced from PubChem (CID 175302884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).