tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate

C8H15NO4 — CID 88706871

IUPACtert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N(O)C=O
InChIInChI=1S/C8H15NO4/c1-6(9(12)5-10)7(11)13-8(2,3)4/h5-6,12H,1-4H3/t6-/m0/s1
InChIKeyZSGYPADHONIXID-LURJTMIESA-N
MW189.21 g/mol
LogP0.56
Rot. Bonds3

About tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate

tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate (PubChem CID 88706871) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
PubChem CID88706871
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nametert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N(O)C=O
InChIInChI=1S/C8H15NO4/c1-6(9(12)5-10)7(11)13-8(2,3)4/h5-6,12H,1-4H3/t6-/m0/s1
InChIKeyZSGYPADHONIXID-LURJTMIESA-N
XLogP0.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate 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

tert-butyl (2S)-2-methyl-3-oxopropanoate
CID 58446027
(2S)-2-[formyl(hydroxy)amino]propanoic acid
CID 6336523
tert-butyl (2S)-2-[iodo-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 171904778
tert-butyl 2-[ethyl(propan-2-yl)amino]propanoate
CID 64689549
tert-butyl 2-[bis(2-amino-2-oxoethyl)amino]propanoate
CID 66338147
tert-butyl 3-hydroxy-2,3,4-trimethylpentanoate
CID 66337083
tert-butyl 2-[bis(3-methylbutyl)amino]propanoate
CID 107870355
tert-butyl 2-fluoropropanoate
CID 91554233
tert-butyl (2S)-2-bromopropanoate
CID 12882378
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl N-hydroxy-N-(1-oxopropan-2-yl)carbamate
CID 141352721

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate (CID 88706871) is tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate is C[C@@H](C(=O)OC(C)(C)C)N(O)C=O.
What is the InChIKey of tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate?
The InChIKey is ZSGYPADHONIXID-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(9(12)5-10)7(11)13-8(2,3)4/h5-6,12H,1-4H3/t6-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate?
tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate has a molecular weight of 189.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[formyl(hydroxy)amino]propanoate is sourced from PubChem (CID 88706871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).