2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate

C11H17NO3S — CID 62479012

IUPAC2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
SMILESCOCCC(N)C(=O)OCCc1cccs1
InChIInChI=1S/C11H17NO3S/c1-14-6-5-10(12)11(13)15-7-4-9-3-2-8-16-9/h2-3,8,10H,4-7,12H2,1H3
InChIKeyPNLBNEDBUNLHEB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.20
Rot. Bonds7

About 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate

2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate (PubChem CID 62479012) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
PubChem CID62479012
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate
SMILESCOCCC(N)C(=O)OCCc1cccs1
InChIInChI=1S/C11H17NO3S/c1-14-6-5-10(12)11(13)15-7-4-9-3-2-8-16-9/h2-3,8,10H,4-7,12H2,1H3
InChIKeyPNLBNEDBUNLHEB-UHFFFAOYSA-N
XLogP1.20
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
2-thiophen-2-ylethyl 3-amino-2-methylpropanoate
CID 62669004
2-amino-4-methoxy-1-thiophen-2-ylbutan-1-one
CID 116567437
2-amino-3-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 120991220
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
2-thiophen-2-ylethyl 2-amino-2-cyclohexylacetate
CID 54966664
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
2-thiophen-2-ylethyl 3-amino-2-phenylpropanoate
CID 62878139
benzyl 2-amino-4-methoxybutanoate
CID 62479875
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104907658

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate?
The IUPAC name of 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate (CID 62479012) is 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate.
What is the SMILES notation for 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate?
The canonical SMILES for 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate is COCCC(N)C(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate?
The InChIKey is PNLBNEDBUNLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-14-6-5-10(12)11(13)15-7-4-9-3-2-8-16-9/h2-3,8,10H,4-7,12H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate?
2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate has a molecular weight of 243.33 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 2-amino-4-methoxybutanoate is sourced from PubChem (CID 62479012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).