tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate

C14H23NO2S — CID 66338688

IUPACtert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
SMILESCCC(NC(C)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-6-11(12-8-7-9-18-12)15-10(2)13(16)17-14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyQPEZQZKOTIOUSZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.52
Rot. Bonds5

About tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate

tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate (PubChem CID 66338688) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
PubChem CID66338688
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nametert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
SMILESCCC(NC(C)C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-6-11(12-8-7-9-18-12)15-10(2)13(16)17-14(3,4)5/h7-11,15H,6H2,1-5H3
InChIKeyQPEZQZKOTIOUSZ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
CID 107253496
tert-butyl 2-thiophen-2-ylpropanoate
CID 66337067
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
CID 55907611
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-thiophen-2-ylpropanoic acid
CID 20544905
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
N'-hydroxy-3-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031256
tert-butyl N-(1-thiophen-2-ylethyl)carbamate
CID 63788673
tert-butyl 4-[(1-thiophen-2-ylpropylamino)methyl]piperidine-1-carboxylate
CID 103730198
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate?
The IUPAC name of tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate (CID 66338688) is tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate?
The canonical SMILES for tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate is CCC(NC(C)C(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate?
The InChIKey is QPEZQZKOTIOUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-6-11(12-8-7-9-18-12)15-10(2)13(16)17-14(3,4)5/h7-11,15H,6H2,1-5H3.
What are the key properties of tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate?
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate has a molecular weight of 269.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate is sourced from PubChem (CID 66338688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).