2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid

C16H20N2O5 — CID 95416704

IUPAC2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
SMILESO=C(O)CN1CCOc2ccc(C(=O)CN3CCOCC3)cc21
InChIInChI=1S/C16H20N2O5/c19-14(10-17-3-6-22-7-4-17)12-1-2-15-13(9-12)18(5-8-23-15)11-16(20)21/h1-2,9H,3-8,10-11H2,(H,20,21)
InChIKeyCSQRQMLDTXUDGV-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.48
Rot. Bonds5

About 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid

2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (PubChem CID 95416704) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
PubChem CID95416704
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
SMILESO=C(O)CN1CCOc2ccc(C(=O)CN3CCOCC3)cc21
InChIInChI=1S/C16H20N2O5/c19-14(10-17-3-6-22-7-4-17)12-1-2-15-13(9-12)18(5-8-23-15)11-16(20)21/h1-2,9H,3-8,10-11H2,(H,20,21)
InChIKeyCSQRQMLDTXUDGV-UHFFFAOYSA-N
XLogP0.48
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid with MolForge

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Related Compounds

2-[6-(2-piperidin-1-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416706
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
2-[6-[2-(4-methylpiperidin-1-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416692
2-[6-[2-(dipropylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416691
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-morpholin-4-ylpropan-1-one
CID 731793
1-(3-amino-4-chlorophenyl)-2-morpholin-4-ylethanone
CID 82482111
1-[4-(diethylamino)-3-methylphenyl]-2-morpholin-4-ylethanone
CID 93194137
1-(4-bromophenyl)-2-morpholin-4-ylethanone;hydrochloride
CID 24747690
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
2-[6-[2-(butan-2-ylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 82262013
2-[6-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 95416696
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The IUPAC name of 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid (CID 95416704) is 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The canonical SMILES for 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid is O=C(O)CN1CCOc2ccc(C(=O)CN3CCOCC3)cc21.
What is the InChIKey of 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
The InChIKey is CSQRQMLDTXUDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c19-14(10-17-3-6-22-7-4-17)12-1-2-15-13(9-12)18(5-8-23-15)11-16(20)21/h1-2,9H,3-8,10-11H2,(H,20,21).
What are the key properties of 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid?
2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid has a molecular weight of 320.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-morpholin-4-ylacetyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid is sourced from PubChem (CID 95416704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).