(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid

C7H8FNO2S2 — CID 118494952

IUPAC(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)Nc1ccsc1F
InChIInChI=1S/C7H8FNO2S2/c8-6-4(1-2-13-6)9-5(3-12)7(10)11/h1-2,5,9,12H,3H2,(H,10,11)/t5-/m0/s1
InChIKeyVHQPLOGIOFSMPG-YFKPBYRVSA-N
MW221.28 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid

(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid (PubChem CID 118494952) has the molecular formula C7H8FNO2S2 and a molecular weight of 221.28 g/mol. Its IUPAC name is (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid
PubChem CID118494952
Molecular FormulaC7H8FNO2S2
Molecular Weight221.28 g/mol
Exact Mass221.00
IUPAC Name(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)Nc1ccsc1F
InChIInChI=1S/C7H8FNO2S2/c8-6-4(1-2-13-6)9-5(3-12)7(10)11/h1-2,5,9,12H,3H2,(H,10,11)/t5-/m0/s1
InChIKeyVHQPLOGIOFSMPG-YFKPBYRVSA-N
XLogP1.68
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Thienylalanine
CID 18642059
N-3-Thienylglycine
CID 3023756
(2R)-3-fluoro-2-(thiophen-3-ylamino)propanoic acid
CID 69257255
2-Bromothienylalanine
CID 129859659
3,3,3-Trifluoro-2-[(thiophen-3-ylamino)methyl]propanoic acid
CID 103255811
2,2-Difluoro-3-[(thiophen-3-yl)amino]propanoic acid
CID 165463839
3-(Thiophen-3-ylamino)propanoic acid
CID 19756642
2-(Thiophen-3-ylamino)propanoic acid
CID 21868215
3-Sulfanyl-2-(thiophen-2-ylamino)propanoic acid
CID 22229337
(2R)-2-(thiophen-3-ylamino)propanoic acid
CID 22858161
methyl (2S)-2-(thiophen-3-ylamino)propanoate
CID 54413469
[2-(thiophen-3-ylamino)acetyl] (2S)-2-aminopropanoate
CID 57212011

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid (CID 118494952) is (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)Nc1ccsc1F.
What is the InChIKey of (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid?
The InChIKey is VHQPLOGIOFSMPG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8FNO2S2/c8-6-4(1-2-13-6)9-5(3-12)7(10)11/h1-2,5,9,12H,3H2,(H,10,11)/t5-/m0/s1.
What are the key properties of (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid?
(2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid has a molecular weight of 221.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluorothiophen-3-yl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 118494952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).