2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

C16H15NO4 — CID 60990813

IUPAC2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO4/c18-16(19)15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h1-7,10,15,17H,8-9H2,(H,18,19)
InChIKeyBCPFHUVVJKDLAM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.70
Rot. Bonds4

About 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (PubChem CID 60990813) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.

Molecular Properties

Compound Name2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
PubChem CID60990813
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESO=C(O)C(Nc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO4/c18-16(19)15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h1-7,10,15,17H,8-9H2,(H,18,19)
InChIKeyBCPFHUVVJKDLAM-UHFFFAOYSA-N
XLogP2.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 61005480
2-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)acetic acid
CID 60992329
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 61046992
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid
CID 82126728
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509426
2-(3-azidopropylamino)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 66188903
N-[1-(1,3-benzodioxol-5-yl)ethyl]aniline
CID 42841562
2-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanedioic acid
CID 150604895
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The IUPAC name of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CID 60990813) is 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.
What is the SMILES notation for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The canonical SMILES for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is O=C(O)C(Nc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The InChIKey is BCPFHUVVJKDLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c18-16(19)15(17-12-4-2-1-3-5-12)11-6-7-13-14(10-11)21-9-8-20-13/h1-7,10,15,17H,8-9H2,(H,18,19).
What are the key properties of 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is sourced from PubChem (CID 60990813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).