4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide

C11H18N2O2S — CID 103156389

IUPAC4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
SMILESCOC(CN)CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C11H18N2O2S/c1-8(10-4-3-5-16-10)13-11(14)6-9(7-12)15-2/h3-5,8-9H,6-7,12H2,1-2H3,(H,13,14)/t8-,9?/m1/s1
InChIKeyLYFTWOQIIGMDDP-VEDVMXKPSA-N
MW242.34 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide

4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide (PubChem CID 103156389) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
PubChem CID103156389
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide
SMILESCOC(CN)CC(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C11H18N2O2S/c1-8(10-4-3-5-16-10)13-11(14)6-9(7-12)15-2/h3-5,8-9H,6-7,12H2,1-2H3,(H,13,14)/t8-,9?/m1/s1
InChIKeyLYFTWOQIIGMDDP-VEDVMXKPSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
2-[2-(aminomethyl)phenyl]-N-(1-thiophen-2-ylethyl)acetamide
CID 81317529
1-O-methyl 4-O-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7296474
N-propan-2-yl-3-thiophen-2-ylbutanamide
CID 175911006
4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-3-methoxy-N-(2-thiophen-2-ylethyl)butanamide;hydrochloride
CID 120587130
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
2-(4-aminophenyl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81408318
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide (CID 103156389) is 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide is COC(CN)CC(=O)N[C@H](C)c1cccs1.
What is the InChIKey of 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide?
The InChIKey is LYFTWOQIIGMDDP-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8(10-4-3-5-16-10)13-11(14)6-9(7-12)15-2/h3-5,8-9H,6-7,12H2,1-2H3,(H,13,14)/t8-,9?/m1/s1.
What are the key properties of 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide?
4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide has a molecular weight of 242.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 103156389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).