2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid

C15H20N2O4 — CID 65226384

IUPAC2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC1COc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-10(14(18)19)8-16-15(20)17-12-9-21-13-7-4-3-6-11(12)13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMNDULLXLPVQVCP-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.92
Rot. Bonds6

About 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid

2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid (PubChem CID 65226384) 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-ylcarbamoylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
PubChem CID65226384
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)NC1COc2ccccc21)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-2-5-10(14(18)19)8-16-15(20)17-12-9-21-13-7-4-3-6-11(12)13/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyMNDULLXLPVQVCP-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)-3-methylbutanoic acid
CID 79010010
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]urea
CID 97016982
2-(2,3-dihydro-1-benzofuran-3-ylmethylcarbamoylamino)pentanoic acid
CID 79218626
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(5-phenylfuran-2-yl)methyl]urea
CID 71882103
3-(2,3-dihydro-1-benzofuran-3-yl)-1-ethyl-1-methylurea
CID 115604588
1-(2,3-dihydro-1-benzofuran-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71990377
2,3-dihydro-1-benzofuran-3-ylurea
CID 62065035
4-(2,3-dihydro-1-benzofuran-3-ylamino)-2,2-diethyl-4-oxobutanoic acid
CID 62065032
2-[(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)methyl]pentanoic acid
CID 65218612
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94553767
N-(2,3-dihydro-1-benzofuran-3-yl)-2-prop-2-ynylpent-4-ynamide
CID 91653348

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid (CID 65226384) is 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid is CCCC(CNC(=O)NC1COc2ccccc21)C(=O)O.
What is the InChIKey of 2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid?
The InChIKey is MNDULLXLPVQVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-5-10(14(18)19)8-16-15(20)17-12-9-21-13-7-4-3-6-11(12)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-ylcarbamoylamino)methyl]pentanoic acid?
2-[(2,3-dihydro-1-benzofuran-3-ylcarbamoylamino)methyl]pentanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.92, 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-ylcarbamoylamino)methyl]pentanoic acid is sourced from PubChem (CID 65226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).