4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

C17H22N2O5 — CID 119934699

IUPAC4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CC(C(=O)N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C17H22N2O5/c20-16(21)6-3-7-19-12-15(17(22)18-8-10-23-11-9-18)24-14-5-2-1-4-13(14)19/h1-2,4-5,15H,3,6-12H2,(H,20,21)
InChIKeyMXZHNMCAQYGZFA-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.98
Rot. Bonds5

About 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid (PubChem CID 119934699) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
PubChem CID119934699
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
SMILESO=C(O)CCCN1CC(C(=O)N2CCOCC2)Oc2ccccc21
InChIInChI=1S/C17H22N2O5/c20-16(21)6-3-7-19-12-15(17(22)18-8-10-23-11-9-18)24-14-5-2-1-4-13(14)19/h1-2,4-5,15H,3,6-12H2,(H,20,21)
InChIKeyMXZHNMCAQYGZFA-UHFFFAOYSA-N
XLogP0.98
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 9157107
4-(2,3-dihydro-1,4-benzoxazin-4-yl)butanoic acid
CID 119134717
2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 25349166
[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 42946093
[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 42949457
cyclopentyl-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 71901442
7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9155350
2-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40968443
4-[2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 40798247
2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 41170724
N-(2-methoxyphenyl)-2-[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25344509
2-(4-fluorophenoxy)-1-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 24506214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid?
The IUPAC name of 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid (CID 119934699) is 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid.
What is the SMILES notation for 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid?
The canonical SMILES for 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid is O=C(O)CCCN1CC(C(=O)N2CCOCC2)Oc2ccccc21.
What is the InChIKey of 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid?
The InChIKey is MXZHNMCAQYGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c20-16(21)6-3-7-19-12-15(17(22)18-8-10-23-11-9-18)24-14-5-2-1-4-13(14)19/h1-2,4-5,15H,3,6-12H2,(H,20,21).
What are the key properties of 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid?
4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid has a molecular weight of 334.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid is sourced from PubChem (CID 119934699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).