tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate

C15H29NO4 — CID 103852212

IUPACtert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)COC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-11(4)13(14(18)20-15(5,6)7)16-12(17)9-19-10(2)3/h10-11,13H,8-9H2,1-7H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyQREZRFVNELJHDR-AAEUAGOBSA-N
MW287.40 g/mol
LogP2.28
Rot. Bonds7

About tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate

tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate (PubChem CID 103852212) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate
PubChem CID103852212
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)COC(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-11(4)13(14(18)20-15(5,6)7)16-12(17)9-19-10(2)3/h10-11,13H,8-9H2,1-7H3,(H,16,17)/t11-,13-/m0/s1
InChIKeyQREZRFVNELJHDR-AAEUAGOBSA-N
XLogP2.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 103940412
tert-butyl 2-[[2-[(2-chloroacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoate
CID 175548223
tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
CID 59096152
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-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
iodomethyl (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 23387582
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020
N-(3-ethylpentan-2-yl)-2-propan-2-yloxyacetamide
CID 112690212
methyl 2-(3,3-dimethylbutanoylamino)-3-methylpentanoate
CID 86977052
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyacetamide
CID 103920021

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate?
The IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate (CID 103852212) is tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate.
What is the SMILES notation for tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate?
The canonical SMILES for tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate is CC[C@H](C)[C@H](NC(=O)COC(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate?
The InChIKey is QREZRFVNELJHDR-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H29NO4/c1-8-11(4)13(14(18)20-15(5,6)7)16-12(17)9-19-10(2)3/h10-11,13H,8-9H2,1-7H3,(H,16,17)/t11-,13-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate?
tert-butyl (2S,3S)-3-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoate has a molecular weight of 287.40 g/mol, XLogP of 2.28, 7 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-propan-2-yloxyacetyl)amino]pentanoate is sourced from PubChem (CID 103852212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).