4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid

C15H17ClN2O5 — CID 126770019

IUPAC4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CN2CCOc3ccc(Cl)cc32)CCO1
InChIInChI=1S/C15H17ClN2O5/c16-10-1-2-12-11(7-10)17(3-5-22-12)9-14(19)18-4-6-23-13(8-18)15(20)21/h1-2,7,13H,3-6,8-9H2,(H,20,21)
InChIKeyBPVMVHRKWZEJPG-UHFFFAOYSA-N
MW340.76 g/mol
LogP0.85
Rot. Bonds3

About 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid

4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 126770019) has the molecular formula C15H17ClN2O5 and a molecular weight of 340.76 g/mol. Its IUPAC name is 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID126770019
Molecular FormulaC15H17ClN2O5
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CN2CCOc3ccc(Cl)cc32)CCO1
InChIInChI=1S/C15H17ClN2O5/c16-10-1-2-12-11(7-10)17(3-5-22-12)9-14(19)18-4-6-23-13(8-18)15(20)21/h1-2,7,13H,3-6,8-9H2,(H,20,21)
InChIKeyBPVMVHRKWZEJPG-UHFFFAOYSA-N
XLogP0.85
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-1-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 126778115
(2S)-4-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]morpholine-2-carboxylic acid
CID 125120631
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111540254
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496
4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
CID 119238890
(2R)-4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]morpholine-2-carboxylic acid
CID 124963505
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001775
4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 81280527
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
4-[3-(4-propan-2-ylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119239576
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-2-carboxylic acid
CID 117008801

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid (CID 126770019) is 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)CN2CCOc3ccc(Cl)cc32)CCO1.
What is the InChIKey of 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is BPVMVHRKWZEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5/c16-10-1-2-12-11(7-10)17(3-5-22-12)9-14(19)18-4-6-23-13(8-18)15(20)21/h1-2,7,13H,3-6,8-9H2,(H,20,21).
What are the key properties of 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid?
4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 340.76 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 126770019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).