tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate

C16H26N2O3S — CID 95933406

IUPACtert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
SMILESC[C@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C16H26N2O3S/c1-11(12-8-7-9-22-12)13(19)17-10-16(5,6)18-14(20)21-15(2,3)4/h7-9,11H,10H2,1-6H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyCTYVGPGAIQEJBI-NSHDSACASA-N
MW326.46 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate

tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate (PubChem CID 95933406) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
PubChem CID95933406
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Nametert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
SMILESC[C@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C16H26N2O3S/c1-11(12-8-7-9-22-12)13(19)17-10-16(5,6)18-14(20)21-15(2,3)4/h7-9,11H,10H2,1-6H3,(H,17,19)(H,18,20)/t11-/m0/s1
InChIKeyCTYVGPGAIQEJBI-NSHDSACASA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-(1-thiophen-2-ylethyl)carbamate
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tert-butyl N-[2-methyl-1-[[N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propan-2-yl]carbamate
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N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
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tert-butyl N-[(1S,2R)-2-nitro-1-thiophen-2-ylpropyl]carbamate
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tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
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tert-butyl N-[3-methyl-2-[(1-thiophen-2-ylethylamino)methyl]butyl]carbamate
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tert-butyl N-[[2-[[(1S)-1-thiophen-2-ylethyl]amino]cyclopentyl]methyl]carbamate
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(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate (CID 95933406) is tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate is C[C@H](C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate?
The InChIKey is CTYVGPGAIQEJBI-NSHDSACASA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(12-8-7-9-22-12)13(19)17-10-16(5,6)18-14(20)21-15(2,3)4/h7-9,11H,10H2,1-6H3,(H,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate?
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate has a molecular weight of 326.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate is sourced from PubChem (CID 95933406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).