2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid

C10H17NO5 — CID 57286446

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid
SMILESCC(C)(C)ON(C=O)C(C=CCO)C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-11(7-13)8(9(14)15)5-4-6-12/h4-5,7-8,12H,6H2,1-3H3,(H,14,15)
InChIKeyCVMZXXNIRWJHSU-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.18
Rot. Bonds6

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid (PubChem CID 57286446) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid
PubChem CID57286446
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid
SMILESCC(C)(C)ON(C=O)C(C=CCO)C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-11(7-13)8(9(14)15)5-4-6-12/h4-5,7-8,12H,6H2,1-3H3,(H,14,15)
InChIKeyCVMZXXNIRWJHSU-UHFFFAOYSA-N
XLogP0.18
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid (CID 57286446) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid is CC(C)(C)ON(C=O)C(C=CCO)C(=O)O.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid?
The InChIKey is CVMZXXNIRWJHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-11(7-13)8(9(14)15)5-4-6-12/h4-5,7-8,12H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid has a molecular weight of 231.25 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-hydroxypent-3-enoic acid is sourced from PubChem (CID 57286446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).