ethyl 3-(oxane-2-carbonylamino)propanoate

C11H19NO4 — CID 62213374

IUPACethyl 3-(oxane-2-carbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-2-15-10(13)6-7-12-11(14)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyDOZQLCVXQGNKQQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.62
Rot. Bonds5

About ethyl 3-(oxane-2-carbonylamino)propanoate

ethyl 3-(oxane-2-carbonylamino)propanoate (PubChem CID 62213374) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 3-(oxane-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(oxane-2-carbonylamino)propanoate
PubChem CID62213374
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 3-(oxane-2-carbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-2-15-10(13)6-7-12-11(14)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyDOZQLCVXQGNKQQ-UHFFFAOYSA-N
XLogP0.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
N-(3-amino-3-sulfanylidenepropyl)oxane-2-carboxamide
CID 62667262
N-(3-amino-3-hydroxyiminopropyl)oxane-2-carboxamide
CID 76952746
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
methyl 6-(oxolane-2-carbonylamino)hexanoate
CID 43404498
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
ethyl 3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoate
CID 103794893
N-[2-(2-hydroxyethoxy)ethyl]oxane-2-carboxamide
CID 62498272
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxane-2-carbonylamino)propanoate?
The IUPAC name of ethyl 3-(oxane-2-carbonylamino)propanoate (CID 62213374) is ethyl 3-(oxane-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(oxane-2-carbonylamino)propanoate?
The canonical SMILES for ethyl 3-(oxane-2-carbonylamino)propanoate is CCOC(=O)CCNC(=O)C1CCCCO1.
What is the InChIKey of ethyl 3-(oxane-2-carbonylamino)propanoate?
The InChIKey is DOZQLCVXQGNKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-15-10(13)6-7-12-11(14)9-5-3-4-8-16-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of ethyl 3-(oxane-2-carbonylamino)propanoate?
ethyl 3-(oxane-2-carbonylamino)propanoate has a molecular weight of 229.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxane-2-carbonylamino)propanoate is sourced from PubChem (CID 62213374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).