2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid

C15H19NO4 — CID 43656423

IUPAC2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC1COc2ccccc2O1
InChIInChI=1S/C15H19NO4/c17-15(18)9-16(7-11-5-6-11)8-12-10-19-13-3-1-2-4-14(13)20-12/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyONGGBFBEZSTVHM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.62
Rot. Bonds6

About 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid

2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid (PubChem CID 43656423) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid
PubChem CID43656423
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)CC1COc2ccccc2O1
InChIInChI=1S/C15H19NO4/c17-15(18)9-16(7-11-5-6-11)8-12-10-19-13-3-1-2-4-14(13)20-12/h1-4,11-12H,5-10H2,(H,17,18)
InChIKeyONGGBFBEZSTVHM-UHFFFAOYSA-N
XLogP1.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79275960
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839498
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)sulfamoyl]acetic acid
CID 43362091
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]acetic acid
CID 63651788
3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propan-1-ol
CID 14551073
N-benzhydryl-2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]acetamide
CID 8853044
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60833770
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 124738895
2-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-propylacetamide
CID 112793656
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)butanoic acid
CID 84617965
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]acetate
CID 7304761

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid (CID 43656423) is 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)CC1COc2ccccc2O1.
What is the InChIKey of 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid?
The InChIKey is ONGGBFBEZSTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-15(18)9-16(7-11-5-6-11)8-12-10-19-13-3-1-2-4-14(13)20-12/h1-4,11-12H,5-10H2,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid?
2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 43656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).