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

C14H17NO4 — CID 60831340

IUPAC2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H17NO4/c1-9(2)15(8-13(16)17)14(18)12-7-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeySMEBRWWMSJATAJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.31
Rot. Bonds4

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

2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 60831340) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID60831340
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H17NO4/c1-9(2)15(8-13(16)17)14(18)12-7-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)
InChIKeySMEBRWWMSJATAJ-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1-benzofuran-2-carbonyl(prop-2-enyl)amino]acetic acid
CID 79256895
2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
CID 154742647
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 61160671
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488
(2S)-2-[N-(2,3-dihydro-1-benzofuran-2-carbonyl)anilino]propanoic acid
CID 70369471
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55123678
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
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-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid (CID 60831340) is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is SMEBRWWMSJATAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)15(8-13(16)17)14(18)12-7-10-5-3-4-6-11(10)19-12/h3-6,9,12H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid?
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60831340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).