(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid

C10H17FN2O3 — CID 135329024

IUPAC(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](NC2CCOC2)[C@@H](F)C1
InChIInChI=1S/C10H17FN2O3/c11-8-5-13(10(14)15)3-1-9(8)12-7-2-4-16-6-7/h7-9,12H,1-6H2,(H,14,15)/t7?,8-,9+/m0/s1
InChIKeyJTGVZTMROZRUHY-SXNZSPLWSA-N
MW232.25 g/mol
LogP0.46
Rot. Bonds2

About (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid

(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid (PubChem CID 135329024) has the molecular formula C10H17FN2O3 and a molecular weight of 232.25 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid
PubChem CID135329024
Molecular FormulaC10H17FN2O3
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](NC2CCOC2)[C@@H](F)C1
InChIInChI=1S/C10H17FN2O3/c11-8-5-13(10(14)15)3-1-9(8)12-7-2-4-16-6-7/h7-9,12H,1-6H2,(H,14,15)/t7?,8-,9+/m0/s1
InChIKeyJTGVZTMROZRUHY-SXNZSPLWSA-N
XLogP0.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid (CID 135329024) is (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid is O=C(O)N1CC[C@@H](NC2CCOC2)[C@@H](F)C1.
What is the InChIKey of (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid?
The InChIKey is JTGVZTMROZRUHY-SXNZSPLWSA-N. The full InChI is InChI=1S/C10H17FN2O3/c11-8-5-13(10(14)15)3-1-9(8)12-7-2-4-16-6-7/h7-9,12H,1-6H2,(H,14,15)/t7?,8-,9+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid?
(3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid has a molecular weight of 232.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-(oxolan-3-ylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 135329024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).