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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 22908716
(2S)-2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-methoxy-5-oxopentanoic acid
CID 174690842
(E)-5-hydroxy-2-methoxypent-3-enoic acid
CID 57173639
tert-butyl (E)-2-amino-5-hydroxypent-3-enoate
CID 174246993
N-[bromo-[[bromo-[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]-ethoxyphosphoryl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 56989822
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 90945491
3-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 21306999
2-tert-butylperoxy-3-hydroxypropanoic acid
CID 88805626
(4S)-5-(benzenesulfonamido)-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxopentanoic acid
CID 89346673
ethyl 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-oxoacetate
CID 87224078
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 91537735
N-[2-[formyl-[(2-methylpropan-2-yl)oxy]amino]pent-4-enyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57045739

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).