2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid

C16H19NO3 — CID 65055146

IUPAC2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(c1cc2ccccc2o1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C16H19NO3/c1-11(17(10-16(18)19)9-12-6-7-12)15-8-13-4-2-3-5-14(13)20-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyODCZXKMHMFRVEI-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.29
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid

2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 65055146) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID65055146
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(c1cc2ccccc2o1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C16H19NO3/c1-11(17(10-16(18)19)9-12-6-7-12)15-8-13-4-2-3-5-14(13)20-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19)
InChIKeyODCZXKMHMFRVEI-UHFFFAOYSA-N
XLogP3.29
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid (CID 65055146) is 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid is CC(c1cc2ccccc2o1)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ODCZXKMHMFRVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(17(10-16(18)19)9-12-6-7-12)15-8-13-4-2-3-5-14(13)20-15/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid?
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 65055146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).