2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid

C16H19NO5 — CID 154742647

IUPAC2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1Cc2ccccc2O1)C1CCOCC1
InChIInChI=1S/C16H19NO5/c18-15(19)10-17(12-5-7-21-8-6-12)16(20)14-9-11-3-1-2-4-13(11)22-14/h1-4,12,14H,5-10H2,(H,18,19)
InChIKeyPZEFROJLURPAMA-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.08
Rot. Bonds4

About 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid

2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid (PubChem CID 154742647) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
PubChem CID154742647
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)C1Cc2ccccc2O1)C1CCOCC1
InChIInChI=1S/C16H19NO5/c18-15(19)10-17(12-5-7-21-8-6-12)16(20)14-9-11-3-1-2-4-13(11)22-14/h1-4,12,14H,5-10H2,(H,18,19)
InChIKeyPZEFROJLURPAMA-UHFFFAOYSA-N
XLogP1.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
2-[2,3-dihydro-1-benzofuran-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79256895
3-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]-(oxan-4-yl)amino]propanoic acid
CID 129353193
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
CID 70369471
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid (CID 154742647) is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)C1Cc2ccccc2O1)C1CCOCC1.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid?
The InChIKey is PZEFROJLURPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(19)10-17(12-5-7-21-8-6-12)16(20)14-9-11-3-1-2-4-13(11)22-14/h1-4,12,14H,5-10H2,(H,18,19).
What are the key properties of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid?
2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 154742647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).