2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid

C14H25FN2O4 — CID 156885518

IUPAC2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25FN2O4/c1-13(2,3)21-12(20)17-7-5-14(15,6-8-17)10-16(4)9-11(18)19/h5-10H2,1-4H3,(H,18,19)
InChIKeyZIUKUHIGPDNGIS-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.74
Rot. Bonds4

About 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid

2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid (PubChem CID 156885518) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid
PubChem CID156885518
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)CC1(F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25FN2O4/c1-13(2,3)21-12(20)17-7-5-14(15,6-8-17)10-16(4)9-11(18)19/h5-10H2,1-4H3,(H,18,19)
InChIKeyZIUKUHIGPDNGIS-UHFFFAOYSA-N
XLogP1.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid (CID 156885518) is 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid is CN(CC(=O)O)CC1(F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid?
The InChIKey is ZIUKUHIGPDNGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-13(2,3)21-12(20)17-7-5-14(15,6-8-17)10-16(4)9-11(18)19/h5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid?
2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid has a molecular weight of 304.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 156885518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).