(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid

C11H18N2O6 — CID 91820433

IUPAC(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
SMILESC/C(=C\C(=O)N(O)CCCC(N)C(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(6-10(15)16)5-9(14)13(19)4-2-3-8(12)11(17)18/h5,8,19H,2-4,6,12H2,1H3,(H,15,16)(H,17,18)/b7-5+
InChIKeyWKYDRCQCQXZNIH-FNORWQNLSA-N
MW274.27 g/mol
LogP-0.18
Rot. Bonds8

About (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid

(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid (PubChem CID 91820433) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
PubChem CID91820433
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid
SMILESC/C(=C\C(=O)N(O)CCCC(N)C(=O)O)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(6-10(15)16)5-9(14)13(19)4-2-3-8(12)11(17)18/h5,8,19H,2-4,6,12H2,1H3,(H,15,16)(H,17,18)/b7-5+
InChIKeyWKYDRCQCQXZNIH-FNORWQNLSA-N
XLogP-0.18
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.18
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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Related Compounds

(2R)-2-amino-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoic acid
CID 101500526
Iron-free triacetyl fusigen
CID 431634
Fusarinin C
CID 102576136
Basidiochrome
CID 139586076
Methylglutaconyl hydroxy ornithine
CID 91820432
N-acetylfusarinine
CID 172407942
Fusarinine
CID 172407944
L-N-(3-methylhex-2-enoyl)-glutamine
CID 87730065
Des(diserylglycyl)ferrirhodin
CID 139586072
Chaetomadramine A
CID 178328685
Chaetomadramine C
CID 178328688
N(5)-hydroxy-N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-L-ornithine
CID 122391322

Frequently Asked Questions

What is the IUPAC name of (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid?
The IUPAC name of (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid (CID 91820433) is (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid.
What is the SMILES notation for (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid?
The canonical SMILES for (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid is C/C(=C\C(=O)N(O)CCCC(N)C(=O)O)CC(=O)O.
What is the InChIKey of (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid?
The InChIKey is WKYDRCQCQXZNIH-FNORWQNLSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(6-10(15)16)5-9(14)13(19)4-2-3-8(12)11(17)18/h5,8,19H,2-4,6,12H2,1H3,(H,15,16)(H,17,18)/b7-5+.
What are the key properties of (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid?
(E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[(4-amino-4-carboxybutyl)-hydroxyamino]-3-methyl-5-oxopent-3-enoic acid is sourced from PubChem (CID 91820433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).