2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid

C9H14FNO5 — CID 90299422

IUPAC2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1(F)CCOCC1
InChIInChI=1S/C9H14FNO5/c1-15-8(14)11-6(7(12)13)9(10)2-4-16-5-3-9/h6H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyMKDDODYOQZBSIM-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.31
Rot. Bonds3

About 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid

2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid (PubChem CID 90299422) has the molecular formula C9H14FNO5 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid
PubChem CID90299422
Molecular FormulaC9H14FNO5
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid
SMILESCOC(=O)NC(C(=O)O)C1(F)CCOCC1
InChIInChI=1S/C9H14FNO5/c1-15-8(14)11-6(7(12)13)9(10)2-4-16-5-3-9/h6H,2-5H2,1H3,(H,11,14)(H,12,13)
InChIKeyMKDDODYOQZBSIM-UHFFFAOYSA-N
XLogP0.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid?
The IUPAC name of 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid (CID 90299422) is 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid is COC(=O)NC(C(=O)O)C1(F)CCOCC1.
What is the InChIKey of 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid?
The InChIKey is MKDDODYOQZBSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO5/c1-15-8(14)11-6(7(12)13)9(10)2-4-16-5-3-9/h6H,2-5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid?
2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid has a molecular weight of 235.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorooxan-4-yl)-2-(methoxycarbonylamino)acetic acid is sourced from PubChem (CID 90299422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).