2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

C14H18FNO3 — CID 63209996

IUPAC2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9(2)7-16(8-13(17)18)14(19)11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyQKLKJIIMFGNXDZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.32
Rot. Bonds5

About 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63209996) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63209996
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1F
InChIInChI=1S/C14H18FNO3/c1-9(2)7-16(8-13(17)18)14(19)11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,18)
InChIKeyQKLKJIIMFGNXDZ-UHFFFAOYSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid (CID 63209996) is 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is QKLKJIIMFGNXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)7-16(8-13(17)18)14(19)11-4-5-12(15)10(3)6-11/h4-6,9H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylbenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63209996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).