2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid

C7H8ClNO3S — CID 130655978

IUPAC2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)5(10)4(9)7(11)12/h1-2,4-5,10H,9H2,(H,11,12)
InChIKeyJRPMQUVMEGYBPX-UHFFFAOYSA-N
MW221.66 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid

2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid (PubChem CID 130655978) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid
PubChem CID130655978
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid
SMILESNC(C(=O)O)C(O)c1ccsc1Cl
InChIInChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)5(10)4(9)7(11)12/h1-2,4-5,10H,9H2,(H,11,12)
InChIKeyJRPMQUVMEGYBPX-UHFFFAOYSA-N
XLogP0.85
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid (CID 130655978) is 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid is NC(C(=O)O)C(O)c1ccsc1Cl.
What is the InChIKey of 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid?
The InChIKey is JRPMQUVMEGYBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-6-3(1-2-13-6)5(10)4(9)7(11)12/h1-2,4-5,10H,9H2,(H,11,12).
What are the key properties of 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid?
2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid has a molecular weight of 221.66 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chlorothiophen-3-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 130655978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).