2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid

C15H21NO3 — CID 82142565

IUPAC2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
SMILESCCc1ccc2c(c1)N(CC(=O)O)CC(C(C)C)O2
InChIInChI=1S/C15H21NO3/c1-4-11-5-6-13-12(7-11)16(9-15(17)18)8-14(19-13)10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyWFUQREGRHHGUFA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds4

About 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid

2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid (PubChem CID 82142565) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
PubChem CID82142565
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
SMILESCCc1ccc2c(c1)N(CC(=O)O)CC(C(C)C)O2
InChIInChI=1S/C15H21NO3/c1-4-11-5-6-13-12(7-11)16(9-15(17)18)8-14(19-13)10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyWFUQREGRHHGUFA-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)acetic acid
CID 82142563
3-(4-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-amine
CID 82340510
2-(6-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82025188
2-[(4-propanoyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfanyl]acetic acid
CID 82355284
2-amino-1-(2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340486
2-(6-tert-butyl-2-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid
CID 82142560
3-[(4-methyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]propanoic acid
CID 82355041
(4-benzyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339198
2-[6-methyl-2-(propylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetic acid
CID 144994975
2-[5-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-3-yl]acetic acid
CID 82087088
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetonitrile
CID 82142924

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid?
The IUPAC name of 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid (CID 82142565) is 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid?
The canonical SMILES for 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid is CCc1ccc2c(c1)N(CC(=O)O)CC(C(C)C)O2.
What is the InChIKey of 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid?
The InChIKey is WFUQREGRHHGUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-11-5-6-13-12(7-11)16(9-15(17)18)8-14(19-13)10(2)3/h5-7,10,14H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid?
2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-4-yl)acetic acid is sourced from PubChem (CID 82142565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).