2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride

C10H17ClN2O2S — CID 120985605

IUPAC2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCc1ccsc1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-14-6-9(11)10(13)12-4-2-8-3-5-15-7-8;/h3,5,7,9H,2,4,6,11H2,1H3,(H,12,13);1H
InChIKeyHOAGHZXZWWFATC-UHFFFAOYSA-N
MW264.78 g/mol
LogP0.80
Rot. Bonds6

About 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride

2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride (PubChem CID 120985605) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
PubChem CID120985605
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC Name2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
SMILESCOCC(N)C(=O)NCCc1ccsc1.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-14-6-9(11)10(13)12-4-2-8-3-5-15-7-8;/h3,5,7,9H,2,4,6,11H2,1H3,(H,12,13);1H
InChIKeyHOAGHZXZWWFATC-UHFFFAOYSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
3-amino-4-methoxy-1-thiophen-3-ylbutan-2-one
CID 116594135
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
4-amino-3-methoxy-N-(2-thiophen-3-ylethyl)butanamide
CID 103155650
2-amino-3-methoxy-N-[2-(4-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120987128
4-amino-7-methoxy-1-thiophen-3-ylheptan-3-one
CID 116593795
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81088412
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride (CID 120985605) is 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride is COCC(N)C(=O)NCCc1ccsc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride?
The InChIKey is HOAGHZXZWWFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-14-6-9(11)10(13)12-4-2-8-3-5-15-7-8;/h3,5,7,9H,2,4,6,11H2,1H3,(H,12,13);1H.
What are the key properties of 2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride?
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 0.80, 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-thiophen-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120985605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).