2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid

C12H18N2O3S — CID 121209627

IUPAC2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
SMILESNC(CC(c1cccs1)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c13-9(12(15)16)8-10(11-2-1-7-18-11)14-3-5-17-6-4-14/h1-2,7,9-10H,3-6,8,13H2,(H,15,16)
InChIKeyGSHXBMCPXCAKCG-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid

2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid (PubChem CID 121209627) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
PubChem CID121209627
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid
SMILESNC(CC(c1cccs1)N1CCOCC1)C(=O)O
InChIInChI=1S/C12H18N2O3S/c13-9(12(15)16)8-10(11-2-1-7-18-11)14-3-5-17-6-4-14/h1-2,7,9-10H,3-6,8,13H2,(H,15,16)
InChIKeyGSHXBMCPXCAKCG-UHFFFAOYSA-N
XLogP0.92
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
2-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(oxan-4-yl)acetamide
CID 120796894
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-phenoxyacetamide
CID 2316164
4-amino-3-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide
CID 81084360
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 39951277
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119880788

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid?
The IUPAC name of 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid (CID 121209627) is 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid is NC(CC(c1cccs1)N1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid?
The InChIKey is GSHXBMCPXCAKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-9(12(15)16)8-10(11-2-1-7-18-11)14-3-5-17-6-4-14/h1-2,7,9-10H,3-6,8,13H2,(H,15,16).
What are the key properties of 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid?
2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid has a molecular weight of 270.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-morpholin-4-yl-4-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 121209627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).