2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid

C15H20N2O4 — CID 79218626

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCC1COc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-8-10-9-21-13-7-4-3-6-11(10)13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUZNFSJAYBREOBE-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.72
Rot. Bonds6

About 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid

2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 79218626) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
PubChem CID79218626
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
SMILESCCCC(NC(=O)NCC1COc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-8-10-9-21-13-7-4-3-6-11(10)13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUZNFSJAYBREOBE-UHFFFAOYSA-N
XLogP1.72
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
(2R)-2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoic acid
CID 83194430
2-acetamido-4-(2,3-dihydro-1-benzofuran-3-ylmethylsulfanyl)butanoic acid
CID 79218939
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-3-amine
CID 79226351
1-cyclohexyl-3-(2,3-dihydro-1-benzofuran-3-ylmethyl)urea
CID 110750914
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631
ethyl 2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)propanoate
CID 79226267
(2S)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107828270
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 66409556
2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65226384

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid (CID 79218626) is 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid is CCCC(NC(=O)NCC1COc2ccccc21)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is UZNFSJAYBREOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-5-12(14(18)19)17-15(20)16-8-10-9-21-13-7-4-3-6-11(10)13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid?
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 79218626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).