ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate

C9H19NO3 — CID 82724877

IUPACethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESCCOC(=O)CCNOC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-12-8(11)6-7-10-13-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyPOLVKIZFUHJUCT-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.26
Rot. Bonds5

About ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate

ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate (PubChem CID 82724877) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate
PubChem CID82724877
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate
SMILESCCOC(=O)CCNOC(C)(C)C
InChIInChI=1S/C9H19NO3/c1-5-12-8(11)6-7-10-13-9(2,3)4/h10H,5-7H2,1-4H3
InChIKeyPOLVKIZFUHJUCT-UHFFFAOYSA-N
XLogP1.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 3-amino-2-methylpropionate
CID 14557403
Tert-butyl 3-(2,2,2-trifluoroethoxyamino)propanoate
CID 103261661
[3-[(2-Methylpropan-2-yl)oxy]-3-oxopropyl]azanium
CID 6951044
Tert-butyl 3-(methoxyamino)propanoate
CID 10751000
ethyl N-hydroxy-3-aminopropionate
CID 12760687
(S)-tert-Butyl 3-amino-2-methylpropanoate
CID 28309100
(R)-tert-Butyl 3-amino-2-methylpropanoate
CID 28309102
Methyl N-ethoxy-beta-alaninate
CID 60702502
Ethyl 3-(methoxyamino)propanoate
CID 60702588
2-Methylbutan-2-yl 3-aminopropanoate
CID 87474403
tert-Butyl 3-(hydroxyamino)propanoate
CID 103282719
Tert-butyl 3-(ethoxyamino)propanoate
CID 103624519

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate (CID 82724877) is ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate is CCOC(=O)CCNOC(C)(C)C.
What is the InChIKey of ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate?
The InChIKey is POLVKIZFUHJUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-5-12-8(11)6-7-10-13-9(2,3)4/h10H,5-7H2,1-4H3.
What are the key properties of ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate?
ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate has a molecular weight of 189.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpropan-2-yl)oxyamino]propanoate is sourced from PubChem (CID 82724877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).