tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate

C19H28N2O5 — CID 123433005

IUPACtert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
SMILESCON(C)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)12-11-15(18(24)21(4)25-5)20-16(22)13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,20,22)
InChIKeyHUZVDJWPVXLHDT-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.86
Rot. Bonds8

About tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate

tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate (PubChem CID 123433005) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
PubChem CID123433005
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Nametert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
SMILESCON(C)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)12-11-15(18(24)21(4)25-5)20-16(22)13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,20,22)
InChIKeyHUZVDJWPVXLHDT-UHFFFAOYSA-N
XLogP1.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl (4S)-5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate
CID 126704441
1-O-benzyl 5-O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 51349741
1-O-benzyl 5-O-tert-butyl (2S)-2-[(14-oxo-14-phenylmethoxytetradecanoyl)amino]pentanedioate
CID 163282836
ditert-butyl (2S)-2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioate
CID 71275672
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 15659549
tert-butyl 4-oxo-5-phenylpentanoate
CID 119056831
5-O-benzyl 1-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 11792241
1-O-tert-butyl 5-O-methyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 10594076
tert-butyl (4S)-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 14824325
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
tert-butyl 4-oxo-4-(1-phenylpropan-2-ylamino)butanoate
CID 106707409
1-O-benzyl 4-O-tert-butyl 2-O-methyl (2R)-butane-1,2,4-tricarboxylate
CID 157475891

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate?
The IUPAC name of tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate (CID 123433005) is tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate.
What is the SMILES notation for tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate?
The canonical SMILES for tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate is CON(C)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)Cc1ccccc1.
What is the InChIKey of tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate?
The InChIKey is HUZVDJWPVXLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-19(2,3)26-17(23)12-11-15(18(24)21(4)25-5)20-16(22)13-14-9-7-6-8-10-14/h6-10,15H,11-13H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate?
tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate has a molecular weight of 364.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[methoxy(methyl)amino]-5-oxo-4-[(2-phenylacetyl)amino]pentanoate is sourced from PubChem (CID 123433005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).