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

C5H10N2O3 — CID 53245664

IUPAC(2S,5E)-2-amino-5-hydroxyiminopentanoic acid
SMILESN[C@@H](CC/C=N/O)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-4(5(8)9)2-1-3-7-10/h3-4,10H,1-2,6H2,(H,8,9)/b7-3+/t4-/m0/s1
InChIKeyOPVPFHGQNVWIEH-DMEVQGBNSA-N
MW146.15 g/mol
LogP-0.36
Rot. Bonds4

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

(2S,5E)-2-amino-5-hydroxyiminopentanoic acid (PubChem CID 53245664) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (2S,5E)-2-amino-5-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name(2S,5E)-2-amino-5-hydroxyiminopentanoic acid
PubChem CID53245664
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(2S,5E)-2-amino-5-hydroxyiminopentanoic acid
SMILESN[C@@H](CC/C=N/O)C(=O)O
InChIInChI=1S/C5H10N2O3/c6-4(5(8)9)2-1-3-7-10/h3-4,10H,1-2,6H2,(H,8,9)/b7-3+/t4-/m0/s1
InChIKeyOPVPFHGQNVWIEH-DMEVQGBNSA-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

(2R)-2-aminohept-6-enoic acid
CID 71352792
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-aminohept-5-enoic acid
CID 54178727
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
2,4-diaminobutanoic acid
CID 158725018
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(E)-2-amino-7-(1-aminoethylideneamino)-6-methylhept-5-enoic acid
CID 59074907
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2S)-2-Amino-4-selanylbutanoic acid
CID 15894949
(2S)-2-amino-4-sulfanylbutanoic acid
CID 87178469

Frequently Asked Questions

What is the IUPAC name of (2S,5E)-2-amino-5-hydroxyiminopentanoic acid?
The IUPAC name of (2S,5E)-2-amino-5-hydroxyiminopentanoic acid (CID 53245664) is (2S,5E)-2-amino-5-hydroxyiminopentanoic acid.
What is the SMILES notation for (2S,5E)-2-amino-5-hydroxyiminopentanoic acid?
The canonical SMILES for (2S,5E)-2-amino-5-hydroxyiminopentanoic acid is N[C@@H](CC/C=N/O)C(=O)O.
What is the InChIKey of (2S,5E)-2-amino-5-hydroxyiminopentanoic acid?
The InChIKey is OPVPFHGQNVWIEH-DMEVQGBNSA-N. The full InChI is InChI=1S/C5H10N2O3/c6-4(5(8)9)2-1-3-7-10/h3-4,10H,1-2,6H2,(H,8,9)/b7-3+/t4-/m0/s1.
What are the key properties of (2S,5E)-2-amino-5-hydroxyiminopentanoic acid?
(2S,5E)-2-amino-5-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 (2S,5E)-2-amino-5-hydroxyiminopentanoic acid is sourced from PubChem (CID 53245664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).