tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate

C16H31NO4 — CID 103940412

IUPACtert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-9-11(2)13(14(19)21-16(6,7)8)17-12(18)10-20-15(3,4)5/h11,13H,9-10H2,1-8H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyFGCSDVYTECJQEM-AAEUAGOBSA-N
MW301.43 g/mol
LogP2.67
Rot. Bonds6

About tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate

tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate (PubChem CID 103940412) has the molecular formula C16H31NO4 and a molecular weight of 301.43 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
PubChem CID103940412
Molecular FormulaC16H31NO4
Molecular Weight301.43 g/mol
Exact Mass301.23
IUPAC Nametert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4/c1-9-11(2)13(14(19)21-16(6,7)8)17-12(18)10-20-15(3,4)5/h11,13H,9-10H2,1-8H3,(H,17,18)/t11-,13-/m0/s1
InChIKeyFGCSDVYTECJQEM-AAEUAGOBSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate with MolForge

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Related Compounds

tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate
CID 103852212
tert-butyl 2-[[2-[(2-chloroacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoate
CID 175548223
(2R)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]butanoic acid
CID 103940348
tert-butyl (2S,3S)-3-methyl-2-(2-methylsulfonylpropanoylamino)pentanoate
CID 103852220
tert-butyl (2R,3S)-3-methyl-2-[[2-[16-[2-[[(2S,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetyl]amino]pentanoate
CID 99676610
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
N-(1-hydroxybutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603120
2-[(2-methylpropan-2-yl)oxy]-N-[(3S)-2,6,6-trimethyl-4-oxo-5-propan-2-ylheptan-3-yl]acetamide
CID 166979517
iodomethyl (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 23387582
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096152
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602720

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate (CID 103940412) is tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate.
What is the SMILES notation for tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The canonical SMILES for tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate is CC[C@H](C)[C@H](NC(=O)COC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
The InChIKey is FGCSDVYTECJQEM-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H31NO4/c1-9-11(2)13(14(19)21-16(6,7)8)17-12(18)10-20-15(3,4)5/h11,13H,9-10H2,1-8H3,(H,17,18)/t11-,13-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate?
tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate has a molecular weight of 301.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate is sourced from PubChem (CID 103940412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).