2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C15H20FNO4 — CID 59721743

IUPAC2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCc1cccc(F)c1)CC(=O)O
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17(10-13(18)19)8-7-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyAOMXFTOSYIXAQY-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 59721743) has the molecular formula C15H20FNO4 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID59721743
Molecular FormulaC15H20FNO4
Molecular Weight297.33 g/mol
Exact Mass297.14
IUPAC Name2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCc1cccc(F)c1)CC(=O)O
InChIInChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17(10-13(18)19)8-7-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyAOMXFTOSYIXAQY-UHFFFAOYSA-N
XLogP2.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 59721743) is 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(C)(C)OC(=O)N(CCc1cccc(F)c1)CC(=O)O.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is AOMXFTOSYIXAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17(10-13(18)19)8-7-11-5-4-6-12(16)9-11/h4-6,9H,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 297.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 59721743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).