(4-aminothiophen-3-yl) propanoate;hydrochloride

C7H10ClNO2S — CID 175421894

IUPAC(4-aminothiophen-3-yl) propanoate;hydrochloride
SMILESCCC(=O)Oc1cscc1N.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-2-7(9)10-6-4-11-3-5(6)8;/h3-4H,2,8H2,1H3;1H
InChIKeyBGGFQTOFTOKJRL-UHFFFAOYSA-N
MW207.68 g/mol
LogP2.07
Rot. Bonds2

About (4-aminothiophen-3-yl) propanoate;hydrochloride

(4-aminothiophen-3-yl) propanoate;hydrochloride (PubChem CID 175421894) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is (4-aminothiophen-3-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(4-aminothiophen-3-yl) propanoate;hydrochloride
PubChem CID175421894
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name(4-aminothiophen-3-yl) propanoate;hydrochloride
SMILESCCC(=O)Oc1cscc1N.Cl
InChIInChI=1S/C7H9NO2S.ClH/c1-2-7(9)10-6-4-11-3-5(6)8;/h3-4H,2,8H2,1H3;1H
InChIKeyBGGFQTOFTOKJRL-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-diaminophenyl) propanoate
CID 89154714
(2-amino-1,3-thiazol-4-yl) propanoate;hydrochloride
CID 87957803
(2-amino-4-methoxyphenyl) propanoate
CID 163982026
(2-amino-6-fluorophenyl) propanoate
CID 70075863
(2,4-difluorophenyl) propanoate
CID 18525986
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
(3-aminofuran-2-yl) propanoate
CID 174825087
(2-chloro-5-hydroxyphenyl) propanoate
CID 101441480
(2-propanoyloxyphenyl) 2-methylbutanoate
CID 90024366
(2,4,5-triformyloxyphenyl) propanoate
CID 91451612
(2-amino-4-hydroxy-6-methyl-3-oxocyclohepta-1,4,6-trien-1-yl) propanoate
CID 136500983
(3-hydroxy-2-methyl-4-pyridinyl) propanoate
CID 90934797

Frequently Asked Questions

What is the IUPAC name of (4-aminothiophen-3-yl) propanoate;hydrochloride?
The IUPAC name of (4-aminothiophen-3-yl) propanoate;hydrochloride (CID 175421894) is (4-aminothiophen-3-yl) propanoate;hydrochloride.
What is the SMILES notation for (4-aminothiophen-3-yl) propanoate;hydrochloride?
The canonical SMILES for (4-aminothiophen-3-yl) propanoate;hydrochloride is CCC(=O)Oc1cscc1N.Cl.
What is the InChIKey of (4-aminothiophen-3-yl) propanoate;hydrochloride?
The InChIKey is BGGFQTOFTOKJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.ClH/c1-2-7(9)10-6-4-11-3-5(6)8;/h3-4H,2,8H2,1H3;1H.
What are the key properties of (4-aminothiophen-3-yl) propanoate;hydrochloride?
(4-aminothiophen-3-yl) propanoate;hydrochloride has a molecular weight of 207.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminothiophen-3-yl) propanoate;hydrochloride is sourced from PubChem (CID 175421894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).