tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate

C13H21NO2S — CID 83226704

IUPACtert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
SMILESCCc1ccc(CC(N)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-5-9-6-7-10(17-9)8-11(14)12(15)16-13(2,3)4/h6-7,11H,5,8,14H2,1-4H3
InChIKeyHMFCMKIKVUCHOE-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.52
Rot. Bonds4

About tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate

tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate (PubChem CID 83226704) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
PubChem CID83226704
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nametert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate
SMILESCCc1ccc(CC(N)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H21NO2S/c1-5-9-6-7-10(17-9)8-11(14)12(15)16-13(2,3)4/h6-7,11H,5,8,14H2,1-4H3
InChIKeyHMFCMKIKVUCHOE-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)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

2-amino-3-(5-ethylthiophen-2-yl)propanamide
CID 64990824
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508909
tert-butyl (2R)-2-amino-3-(2-methylphenyl)propanoate
CID 134989278
tert-butyl (2S)-2-amino-3-(2-chlorophenyl)propanoate
CID 54222459
tert-butyl (2S)-2-amino-3-(4-chlorophenyl)propanoate
CID 54165475
tert-butyl 2-amino-3-(2,6-dimethylphenyl)propanoate
CID 83225158
tert-butyl (2R)-2-aminobutanoate
CID 13283520
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(5-ethylthiophen-2-yl)-4,5,5-trimethylhexan-2-one
CID 114967772
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
CID 71164693
tert-butyl (2R)-2-amino-3-(2,5-dichlorophenyl)propanoate
CID 167733258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate?
The IUPAC name of tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate (CID 83226704) is tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate.
What is the SMILES notation for tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate?
The canonical SMILES for tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate is CCc1ccc(CC(N)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate?
The InChIKey is HMFCMKIKVUCHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-9-6-7-10(17-9)8-11(14)12(15)16-13(2,3)4/h6-7,11H,5,8,14H2,1-4H3.
What are the key properties of tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate?
tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate has a molecular weight of 255.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(5-ethylthiophen-2-yl)propanoate is sourced from PubChem (CID 83226704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).