[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid

C4H8FNO3 — CID 87527949

IUPAC[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC[C@H](F)CO
InChIInChI=1S/C4H8FNO3/c5-3(2-7)1-6-4(8)9/h3,6-7H,1-2H2,(H,8,9)/t3-/m0/s1
InChIKeyZLIPMAMBENTINT-VKHMYHEASA-N
MW137.11 g/mol
LogP-0.42
Rot. Bonds3

About [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid

[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid (PubChem CID 87527949) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
PubChem CID87527949
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC Name[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC[C@H](F)CO
InChIInChI=1S/C4H8FNO3/c5-3(2-7)1-6-4(8)9/h3,6-7H,1-2H2,(H,8,9)/t3-/m0/s1
InChIKeyZLIPMAMBENTINT-VKHMYHEASA-N
XLogP-0.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid?
The IUPAC name of [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid (CID 87527949) is [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid is O=C(O)NC[C@H](F)CO.
What is the InChIKey of [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid?
The InChIKey is ZLIPMAMBENTINT-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8FNO3/c5-3(2-7)1-6-4(8)9/h3,6-7H,1-2H2,(H,8,9)/t3-/m0/s1.
What are the key properties of [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid?
[(2S)-2-fluoro-3-hydroxypropyl]carbamic acid has a molecular weight of 137.11 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-fluoro-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 87527949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).