(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid

C8H14N2O6 — CID 71574838

IUPAC(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid
SMILESN[C@@H](C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c9-5(8(14)15)3-4(7(12)13)1-2-6(11)10-16/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyVMZWGONYFYNQHE-UHNVWZDZSA-N
MW234.21 g/mol
LogP-1.23
Rot. Bonds7

About (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid

(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid (PubChem CID 71574838) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid
PubChem CID71574838
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid
SMILESN[C@@H](C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c9-5(8(14)15)3-4(7(12)13)1-2-6(11)10-16/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyVMZWGONYFYNQHE-UHNVWZDZSA-N
XLogP-1.23
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid (CID 71574838) is (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid is N[C@@H](C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid?
The InChIKey is VMZWGONYFYNQHE-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H14N2O6/c9-5(8(14)15)3-4(7(12)13)1-2-6(11)10-16/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid?
(2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid has a molecular weight of 234.21 g/mol, XLogP of -1.23, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-[3-(hydroxyamino)-3-oxopropyl]pentanedioic acid is sourced from PubChem (CID 71574838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).