[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid

C7H8FN3O2 — CID 67300285

IUPAC[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ncc(F)cn1
InChIInChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyWHWQUSFTHYYQKA-BYPYZUCNSA-N
MW185.16 g/mol
LogP0.94
Rot. Bonds2

About [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid

[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid (PubChem CID 67300285) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
PubChem CID67300285
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1ncc(F)cn1
InChIInChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13)/t4-/m0/s1
InChIKeyWHWQUSFTHYYQKA-BYPYZUCNSA-N
XLogP0.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid?
The IUPAC name of [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid (CID 67300285) is [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid is C[C@H](NC(=O)O)c1ncc(F)cn1.
What is the InChIKey of [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid?
The InChIKey is WHWQUSFTHYYQKA-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-4(11-7(12)13)6-9-2-5(8)3-10-6/h2-4,11H,1H3,(H,12,13)/t4-/m0/s1.
What are the key properties of [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid?
[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid has a molecular weight of 185.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 67300285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).