tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate

C18H30N2O4S — CID 3870084

IUPACtert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate
SMILESCC(C)(C)OCC(NC(=O)NCCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)23-12-14(15(21)24-18(4,5)6)20-16(22)19-10-9-13-8-7-11-25-13/h7-8,11,14H,9-10,12H2,1-6H3,(H2,19,20,22)
InChIKeyMRBWXCKJOZQILL-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate

tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate (PubChem CID 3870084) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate
PubChem CID3870084
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC Nametert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate
SMILESCC(C)(C)OCC(NC(=O)NCCc1cccs1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)23-12-14(15(21)24-18(4,5)6)20-16(22)19-10-9-13-8-7-11-25-13/h7-8,11,14H,9-10,12H2,1-6H3,(H2,19,20,22)
InChIKeyMRBWXCKJOZQILL-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-oxo-2-(2-thiophen-2-ylethylamino)acetate
CID 115141760
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
tert-butyl (2S)-3-phenyl-2-(2-phenylethylcarbamoylamino)propanoate
CID 71507126
3-methyl-2-[(2-thiophen-2-ylethylcarbamoylamino)methyl]butanoic acid
CID 65218687
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
tert-butyl N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]carbamate
CID 27770407
4-amino-2,2-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157089
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-thiophen-2-ylethyl)urea
CID 111440752
tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3766020
4-amino-3,3-dimethyl-N-(2-thiophen-2-ylethyl)butanamide
CID 115157405
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate?
The IUPAC name of tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate (CID 3870084) is tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate.
What is the SMILES notation for tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate?
The canonical SMILES for tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate is CC(C)(C)OCC(NC(=O)NCCc1cccs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate?
The InChIKey is MRBWXCKJOZQILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-17(2,3)23-12-14(15(21)24-18(4,5)6)20-16(22)19-10-9-13-8-7-11-25-13/h7-8,11,14H,9-10,12H2,1-6H3,(H2,19,20,22).
What are the key properties of tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate?
tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate has a molecular weight of 370.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-(2-thiophen-2-ylethylcarbamoylamino)propanoate is sourced from PubChem (CID 3870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).