(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid

C8H14FNO3 — CID 170357043

IUPAC(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C(O)F)[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-5(7(9)11)6-2-3-10(4-6)8(12)13/h5-7,11H,2-4H2,1H3,(H,12,13)/t5?,6-,7?/m0/s1
InChIKeyHTWYOQAGEQKJOS-HUDPQJTASA-N
MW191.20 g/mol
LogP0.91
Rot. Bonds2

About (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid

(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 170357043) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID170357043
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid
SMILESCC(C(O)F)[C@H]1CCN(C(=O)O)C1
InChIInChI=1S/C8H14FNO3/c1-5(7(9)11)6-2-3-10(4-6)8(12)13/h5-7,11H,2-4H2,1H3,(H,12,13)/t5?,6-,7?/m0/s1
InChIKeyHTWYOQAGEQKJOS-HUDPQJTASA-N
XLogP0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid (CID 170357043) is (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid is CC(C(O)F)[C@H]1CCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is HTWYOQAGEQKJOS-HUDPQJTASA-N. The full InChI is InChI=1S/C8H14FNO3/c1-5(7(9)11)6-2-3-10(4-6)8(12)13/h5-7,11H,2-4H2,1H3,(H,12,13)/t5?,6-,7?/m0/s1.
What are the key properties of (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid?
(3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 191.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-fluoro-1-hydroxypropan-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170357043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).