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

C13H14N2O5 — CID 107434626

IUPAC2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)C1COc2ccccc21
InChIInChI=1S/C13H14N2O5/c14-11(16)5-15(6-12(17)18)13(19)9-7-20-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H2,14,16)(H,17,18)
InChIKeyPDUMEJKLKUNBIZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.44
Rot. Bonds5

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

2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid (PubChem CID 107434626) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
PubChem CID107434626
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)C1COc2ccccc21
InChIInChI=1S/C13H14N2O5/c14-11(16)5-15(6-12(17)18)13(19)9-7-20-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H2,14,16)(H,17,18)
InChIKeyPDUMEJKLKUNBIZ-UHFFFAOYSA-N
XLogP-0.44
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
2-[2,3-dihydro-1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265048
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2-[carboxymethyl(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]acetic acid
CID 63651788
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020927
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79663424
3-[2,3-dihydro-1-benzofuran-3-carbonyl(oxan-4-yl)amino]propanoic acid
CID 122146328
N-(2-bromoethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80659005
1-(2,3-dihydro-1-benzofuran-3-yl)-4-methylpent-4-en-1-one
CID 114473710
2-[(2-amino-2-oxoethyl)-(4,5,6,7-tetrahydro-1-benzothiophene-4-carbonyl)amino]acetic acid
CID 107434042

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid (CID 107434626) is 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)C1COc2ccccc21.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid?
The InChIKey is PDUMEJKLKUNBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c14-11(16)5-15(6-12(17)18)13(19)9-7-20-10-4-2-1-3-8(9)10/h1-4,9H,5-7H2,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid has a molecular weight of 278.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,3-dihydro-1-benzofuran-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 107434626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).