(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid

C11H20N2O5 — CID 122391322

IUPAC(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
SMILESC/C(=C\C(=O)N(O)CCC[C@H](N)C(=O)O)CCO
InChIInChI=1S/C11H20N2O5/c1-8(4-6-14)7-10(15)13(18)5-2-3-9(12)11(16)17/h7,9,14,18H,2-6,12H2,1H3,(H,16,17)/b8-7+/t9-/m0/s1
InChIKeyWRFIKQWBKYAFNH-FLOXNTQESA-N
MW260.29 g/mol
LogP-0.28
Rot. Bonds8

About (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid

(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid (PubChem CID 122391322) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
PubChem CID122391322
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
SMILESC/C(=C\C(=O)N(O)CCC[C@H](N)C(=O)O)CCO
InChIInChI=1S/C11H20N2O5/c1-8(4-6-14)7-10(15)13(18)5-2-3-9(12)11(16)17/h7,9,14,18H,2-6,12H2,1H3,(H,16,17)/b8-7+/t9-/m0/s1
InChIKeyWRFIKQWBKYAFNH-FLOXNTQESA-N
XLogP-0.28
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid (CID 122391322) is (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid is C/C(=C\C(=O)N(O)CCC[C@H](N)C(=O)O)CCO.
What is the InChIKey of (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid?
The InChIKey is WRFIKQWBKYAFNH-FLOXNTQESA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(4-6-14)7-10(15)13(18)5-2-3-9(12)11(16)17/h7,9,14,18H,2-6,12H2,1H3,(H,16,17)/b8-7+/t9-/m0/s1.
What are the key properties of (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid?
(2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid is sourced from PubChem (CID 122391322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).