1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid

C15H17NO4 — CID 102553850

IUPAC1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc2c(cc1C)OC(C(=O)NC1(C(=O)O)CC1)C2
InChIInChI=1S/C15H17NO4/c1-8-5-10-7-12(20-11(10)6-9(8)2)13(17)16-15(3-4-15)14(18)19/h5-6,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPLWYWNDBUBGWBU-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.34
Rot. Bonds3

About 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 102553850) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID102553850
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc2c(cc1C)OC(C(=O)NC1(C(=O)O)CC1)C2
InChIInChI=1S/C15H17NO4/c1-8-5-10-7-12(20-11(10)6-9(8)2)13(17)16-15(3-4-15)14(18)19/h5-6,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyPLWYWNDBUBGWBU-UHFFFAOYSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 102553850) is 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid is Cc1cc2c(cc1C)OC(C(=O)NC1(C(=O)O)CC1)C2.
What is the InChIKey of 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is PLWYWNDBUBGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-8-5-10-7-12(20-11(10)6-9(8)2)13(17)16-15(3-4-15)14(18)19/h5-6,12H,3-4,7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102553850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).