2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid

C16H18FNO3 — CID 169212317

IUPAC2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(C2(F)CC2)cc1C1CC1
InChIInChI=1S/C16H18FNO3/c1-18(9-14(19)20)15(21)12-5-4-11(16(17)6-7-16)8-13(12)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,19,20)
InChIKeyUVNCCZIZOLEICI-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.68
Rot. Bonds5

About 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid

2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid (PubChem CID 169212317) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid
PubChem CID169212317
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccc(C2(F)CC2)cc1C1CC1
InChIInChI=1S/C16H18FNO3/c1-18(9-14(19)20)15(21)12-5-4-11(16(17)6-7-16)8-13(12)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,19,20)
InChIKeyUVNCCZIZOLEICI-UHFFFAOYSA-N
XLogP2.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid (CID 169212317) is 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1ccc(C2(F)CC2)cc1C1CC1.
What is the InChIKey of 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid?
The InChIKey is UVNCCZIZOLEICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-18(9-14(19)20)15(21)12-5-4-11(16(17)6-7-16)8-13(12)10-2-3-10/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,19,20).
What are the key properties of 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid?
2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid has a molecular weight of 291.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-4-(1-fluorocyclopropyl)benzoyl]-methylamino]acetic acid is sourced from PubChem (CID 169212317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).