(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid

C7H8FNO2S — CID 69257255

IUPAC(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)[C@H](CF)Nc1ccsc1
InChIInChI=1S/C7H8FNO2S/c8-3-6(7(10)11)9-5-1-2-12-4-5/h1-2,4,6,9H,3H2,(H,10,11)/t6-/m0/s1
InChIKeyNBHCGCOZJNWMSD-LURJTMIESA-N
MW189.21 g/mol
LogP1.58
Rot. Bonds4

About (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid

(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid (PubChem CID 69257255) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
PubChem CID69257255
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
SMILESO=C(O)[C@H](CF)Nc1ccsc1
InChIInChI=1S/C7H8FNO2S/c8-3-6(7(10)11)9-5-1-2-12-4-5/h1-2,4,6,9H,3H2,(H,10,11)/t6-/m0/s1
InChIKeyNBHCGCOZJNWMSD-LURJTMIESA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid?
The IUPAC name of (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid (CID 69257255) is (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid.
What is the SMILES notation for (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid?
The canonical SMILES for (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid is O=C(O)[C@H](CF)Nc1ccsc1.
What is the InChIKey of (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid?
The InChIKey is NBHCGCOZJNWMSD-LURJTMIESA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-3-6(7(10)11)9-5-1-2-12-4-5/h1-2,4,6,9H,3H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid?
(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid has a molecular weight of 189.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid is sourced from PubChem (CID 69257255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).