methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate

C8H10ClNO2S — CID 43146898

IUPACmethyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-12-8(11)4-5(10)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3
InChIKeyYKYWSBSBRGBNAJ-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.96
Rot. Bonds3

About methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate

methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate (PubChem CID 43146898) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
PubChem CID43146898
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Namemethyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
SMILESCOC(=O)CC(N)c1ccc(Cl)s1
InChIInChI=1S/C8H10ClNO2S/c1-12-8(11)4-5(10)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3
InChIKeyYKYWSBSBRGBNAJ-UHFFFAOYSA-N
XLogP1.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751
methyl (3S)-3-amino-3-(5-bromothiophen-2-yl)propanoate
CID 29059589
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]acetate
CID 43438917
methyl 3-(5-chlorothiophen-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 170816546
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
3-amino-3-(5-chlorothiophen-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851396
methyl 5-amino-5-(5-bromothiophen-2-yl)-3-methylpentanoate
CID 62942196

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate?
The IUPAC name of methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate (CID 43146898) is methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate?
The canonical SMILES for methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate is COC(=O)CC(N)c1ccc(Cl)s1.
What is the InChIKey of methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate?
The InChIKey is YKYWSBSBRGBNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-12-8(11)4-5(10)6-2-3-7(9)13-6/h2-3,5H,4,10H2,1H3.
What are the key properties of methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate?
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate has a molecular weight of 219.69 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate is sourced from PubChem (CID 43146898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).