2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid

C10H17NO5 — CID 79457821

IUPAC2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO5/c12-9(13)7-16-5-3-11-10(14)8-2-1-4-15-6-8/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyVFFHKNRGSLLLLG-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.37
Rot. Bonds6

About 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid

2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid (PubChem CID 79457821) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
PubChem CID79457821
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO5/c12-9(13)7-16-5-3-11-10(14)8-2-1-4-15-6-8/h8H,1-7H2,(H,11,14)(H,12,13)
InChIKeyVFFHKNRGSLLLLG-UHFFFAOYSA-N
XLogP-0.37
TPSA84.86 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 ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
CID 63869806
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
2-[2-(azetidine-3-carbonylamino)ethoxy]acetic acid
CID 79456951
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
N-[[1-(hydroxymethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 113294474
2-[2-(thiolane-3-carbonylamino)ethoxy]acetic acid
CID 79457787
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
CID 106107266
N-[2-(2,4,6-trichlorophenoxy)ethyl]oxane-3-carboxamide
CID 75424722

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid (CID 79457821) is 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)C1CCCOC1.
What is the InChIKey of 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid?
The InChIKey is VFFHKNRGSLLLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c12-9(13)7-16-5-3-11-10(14)8-2-1-4-15-6-8/h8H,1-7H2,(H,11,14)(H,12,13).
What are the key properties of 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid?
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid has a molecular weight of 231.25 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).