tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

C19H26N2O5 — CID 87613011

IUPACtert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2OC2[C@H]1C(N)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)21-10-14-17(25-14)16(21)13(20)9-15(22)24-11-12-7-5-4-6-8-12/h4-8,13-14,16-17H,9-11,20H2,1-3H3/t13?,14?,16-,17?/m1/s1
InChIKeyJZKBKXCTSDEUDW-DZTUWMGKSA-N
MW362.43 g/mol
LogP1.83
Rot. Bonds5

About tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 87613011) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID87613011
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nametert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2OC2[C@H]1C(N)CC(=O)OCc1ccccc1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)21-10-14-17(25-14)16(21)13(20)9-15(22)24-11-12-7-5-4-6-8-12/h4-8,13-14,16-17H,9-11,20H2,1-3H3/t13?,14?,16-,17?/m1/s1
InChIKeyJZKBKXCTSDEUDW-DZTUWMGKSA-N
XLogP1.83
TPSA94.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-O-benzyl 3-O-tert-butyl (2S,5R)-6-oxa-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
CID 118241547
tert-butyl (2R)-2-[2-(phenylmethoxycarbonylamino)ethyl]-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86604954
tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
CID 58067181
2-O-benzyl 1-O-tert-butyl (2S)-4-hydroxy-3-oxopyrrolidine-1,2-dicarboxylate
CID 91507065
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate
CID 58303419
2-O-benzyl 1-O-tert-butyl (2R)-azetidine-1,2-dicarboxylate
CID 150439110
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
2-O-benzyl 1-O,4-O-ditert-butyl piperazine-1,2,4-tricarboxylate
CID 118427975
tert-butyl (2S)-2-[[(2R)-4-oxo-4-phenylmethoxybutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 59924108
tert-butyl (3R)-3-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 58120124
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
2-O-benzyl 1-O-tert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
CID 10958148

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 87613011) is tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate is CC(C)(C)OC(=O)N1CC2OC2[C@H]1C(N)CC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is JZKBKXCTSDEUDW-DZTUWMGKSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,3)26-18(23)21-10-14-17(25-14)16(21)13(20)9-15(22)24-11-12-7-5-4-6-8-12/h4-8,13-14,16-17H,9-11,20H2,1-3H3/t13?,14?,16-,17?/m1/s1.
What are the key properties of tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(1-amino-3-oxo-3-phenylmethoxypropyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 87613011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).