2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

C10H18FNO4 — CID 142194641

IUPAC2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(F)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-7(11)5-12(6-8(13)14)9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyUBECELODBLYKBL-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.67
Rot. Bonds4

About 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (PubChem CID 142194641) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
PubChem CID142194641
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
SMILESCC(F)CN(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-7(11)5-12(6-8(13)14)9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyUBECELODBLYKBL-UHFFFAOYSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The IUPAC name of 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid (CID 142194641) is 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is CC(F)CN(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
The InChIKey is UBECELODBLYKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-7(11)5-12(6-8(13)14)9(15)16-10(2,3)4/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid?
2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid has a molecular weight of 235.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoropropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid is sourced from PubChem (CID 142194641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).