tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate

C19H29NO4 — CID 67291810

IUPACtert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate
SMILESCC(NC(C)C(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO4/c1-13(17(21)24-19(4,5)6)14(2)20-15(3)18(22)23-12-16-10-8-7-9-11-16/h7-11,13-15,20H,12H2,1-6H3
InChIKeyLPWPVSFEFTUSTQ-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.07
Rot. Bonds7

About tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate

tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate (PubChem CID 67291810) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate
PubChem CID67291810
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Nametert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate
SMILESCC(NC(C)C(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C19H29NO4/c1-13(17(21)24-19(4,5)6)14(2)20-15(3)18(22)23-12-16-10-8-7-9-11-16/h7-11,13-15,20H,12H2,1-6H3
InChIKeyLPWPVSFEFTUSTQ-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate with MolForge

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Related Compounds

tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591
benzyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 13369189
tert-butyl (2S)-3-(1H-indol-3-yl)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 10387527
benzyl (2S)-2-(benzylamino)propanoate
CID 15488196
benzyl (2S)-2-[3-[(2-methylpropan-2-yl)oxy]propylamino]propanoate
CID 67506981
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522
4-O-benzyl 1-O-tert-butyl (2S,3S)-2-(3-hydroxypropyl)-3-methylbutanedioate
CID 121340253
tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 171782458
benzyl (2S)-2-[[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]amino]propanoate
CID 69333311
ethyl 3-benzylsulfanyl-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 57220112
tert-butyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 15600481
ethyl (2S)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]pentanoate
CID 69028409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate?
The IUPAC name of tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate (CID 67291810) is tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate.
What is the SMILES notation for tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate?
The canonical SMILES for tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate is CC(NC(C)C(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate?
The InChIKey is LPWPVSFEFTUSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-13(17(21)24-19(4,5)6)14(2)20-15(3)18(22)23-12-16-10-8-7-9-11-16/h7-11,13-15,20H,12H2,1-6H3.
What are the key properties of tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate?
tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate has a molecular weight of 335.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-[(1-oxo-1-phenylmethoxypropan-2-yl)amino]butanoate is sourced from PubChem (CID 67291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).