methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate

C12H19NO3S — CID 104644473

IUPACmethyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(O)CNC(C)Cc1cccs1
InChIInChI=1S/C12H19NO3S/c1-9(7-10-5-4-6-17-10)13-8-12(2,15)11(14)16-3/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyMWJJABQRCCXCML-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.19
Rot. Bonds6

About methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate

methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate (PubChem CID 104644473) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate
PubChem CID104644473
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate
SMILESCOC(=O)C(C)(O)CNC(C)Cc1cccs1
InChIInChI=1S/C12H19NO3S/c1-9(7-10-5-4-6-17-10)13-8-12(2,15)11(14)16-3/h4-6,9,13,15H,7-8H2,1-3H3
InChIKeyMWJJABQRCCXCML-UHFFFAOYSA-N
XLogP1.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate 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

methyl 2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanoate
CID 113436506
methyl 2,3-dimethyl-2-(thiophen-2-ylmethylamino)butanoate
CID 62488456
N-[2-(1-thiophen-2-ylpropan-2-ylamino)ethyl]acetamide
CID 102673467
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
methyl (Z)-2-ethyl-4-(1-thiophen-2-ylpropan-2-ylamino)but-2-enoate
CID 103251832
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
5-(1-thiophen-2-ylpropan-2-ylamino)pentanoic acid
CID 103251821
methyl 2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)amino]propanoate
CID 79621848
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
methyl 2-hydroxy-3-(4-hydroxybutan-2-ylamino)-2-methylpropanoate
CID 104644967
3-methoxy-2-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 103251820
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate (CID 104644473) is methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate is COC(=O)C(C)(O)CNC(C)Cc1cccs1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate?
The InChIKey is MWJJABQRCCXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(7-10-5-4-6-17-10)13-8-12(2,15)11(14)16-3/h4-6,9,13,15H,7-8H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate?
methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate has a molecular weight of 257.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(1-thiophen-2-ylpropan-2-ylamino)propanoate is sourced from PubChem (CID 104644473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).