tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate

C16H31NO5 — CID 59096152

IUPACtert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
SMILESCC(C)OCC(=O)N[C@H](COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO5/c1-11(2)20-10-13(18)17-12(9-21-15(3,4)5)14(19)22-16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,18)/t12-/m1/s1
InChIKeyZOLDUNSUCZPDQX-GFCCVEGCSA-N
MW317.43 g/mol
LogP2.05
Rot. Bonds7

About tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate

tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate (PubChem CID 59096152) has the molecular formula C16H31NO5 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
PubChem CID59096152
Molecular FormulaC16H31NO5
Molecular Weight317.43 g/mol
Exact Mass317.22
IUPAC Nametert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate
SMILESCC(C)OCC(=O)N[C@H](COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO5/c1-11(2)20-10-13(18)17-12(9-21-15(3,4)5)14(19)22-16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,18)/t12-/m1/s1
InChIKeyZOLDUNSUCZPDQX-GFCCVEGCSA-N
XLogP2.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate 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-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl 2-[[amino(2-methylpropyl)carbamoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 137379314
tert-butyl (3S)-3-amino-4-[[(2S)-1,3-bis[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 131720161
tert-butyl 2-[(3,5-dimethylphenyl)carbamoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3766020
N-(3,3-dimethylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 115622733
tert-butyl (2S)-2-[3-(benzylamino)propanoylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 153486880
tert-butyl 3-[(2-methylpropan-2-yl)oxy]-2-[(2,4,6-trichlorophenyl)carbamoylamino]propanoate
CID 4985253
tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)propanoate
CID 10915135
tert-butyl (2S,3S)-3-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]pentanoate
CID 103940412
tert-butyl 2-[(4-bromo-2-hydroxybenzoyl)amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 68550229
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The IUPAC name of tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate (CID 59096152) is tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The canonical SMILES for tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate is CC(C)OCC(=O)N[C@H](COC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
The InChIKey is ZOLDUNSUCZPDQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H31NO5/c1-11(2)20-10-13(18)17-12(9-21-15(3,4)5)14(19)22-16(6,7)8/h11-12H,9-10H2,1-8H3,(H,17,18)/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate?
tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate has a molecular weight of 317.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-propan-2-yloxyacetyl)amino]propanoate is sourced from PubChem (CID 59096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).