2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

C11H18N2O2S — CID 120993978

IUPAC2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCc1sccc1C
InChIInChI=1S/C11H18N2O2S/c1-8-4-6-16-10(8)3-5-13-11(14)9(12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyYGDYUMIARMLZJK-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.69
Rot. Bonds6

About 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 120993978) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
PubChem CID120993978
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCOCC(N)C(=O)NCCc1sccc1C
InChIInChI=1S/C11H18N2O2S/c1-8-4-6-16-10(8)3-5-13-11(14)9(12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14)
InChIKeyYGDYUMIARMLZJK-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-[2-(3-methylthiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181342
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
methyl 2-[2-(3-methylthiophen-2-yl)ethylamino]-2-oxoacetate
CID 115142589
2-methyl-3-[2-(3-methylthiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 115164366
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-(methylamino)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 115152050
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 115588265
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
4-amino-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
CID 115155462

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (CID 120993978) is 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is COCC(N)C(=O)NCCc1sccc1C.
What is the InChIKey of 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is YGDYUMIARMLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-4-6-16-10(8)3-5-13-11(14)9(12)7-15-2/h4,6,9H,3,5,7,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 242.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 120993978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).