(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

C19H31N3O5 — CID 23868280

IUPAC(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@H]1[C@H]2C(=O)N([C@H](C)CO)C(C(=O)NC(C)(C)C)C23CC[C@]1(C)O3
InChIInChI=1S/C19H31N3O5/c1-10(9-23)22-13(15(25)21-17(2,3)4)19-8-7-18(5,27-19)11(14(24)20-6)12(19)16(22)26/h10-13,23H,7-9H2,1-6H3,(H,20,24)(H,21,25)/t10-,11-,12+,13?,18+,19?/m1/s1
InChIKeyHWXCUVLIFCPJHO-NNLYNPHESA-N
MW381.47 g/mol
LogP-0.21
Rot. Bonds4

About (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23868280) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID23868280
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILESCNC(=O)[C@H]1[C@H]2C(=O)N([C@H](C)CO)C(C(=O)NC(C)(C)C)C23CC[C@]1(C)O3
InChIInChI=1S/C19H31N3O5/c1-10(9-23)22-13(15(25)21-17(2,3)4)19-8-7-18(5,27-19)11(14(24)20-6)12(19)16(22)26/h10-13,23H,7-9H2,1-6H3,(H,20,24)(H,21,25)/t10-,11-,12+,13?,18+,19?/m1/s1
InChIKeyHWXCUVLIFCPJHO-NNLYNPHESA-N
XLogP-0.21
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5R,6S,7S)-6-N-benzyl-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23840012
(5R,6S,7S)-3-[(2R)-1-hydroxypropan-2-yl]-7-methyl-4-oxo-6-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23952011
(5R,6S,7S)-3-[(2S)-1-hydroxybutan-2-yl]-6-N,7-dimethyl-4-oxo-2-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23896510
(5R,6R,7R)-2-N-tert-butyl-3-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-6-N-phenyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23924620
(5R,6S,7S)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N,7-dimethyl-4-oxo-2-N-pentan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23868366
(5R,6S,7S)-3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-N,7-dimethyl-4-oxo-2-N-pentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23811504
(5R,6R,7R)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-N,7-dimethyl-4-oxo-2-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23896668
(5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N,7-dimethyl-4-oxo-2-N-pentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23924685
(5R,6S,7S)-2-N-(2,6-dimethylphenyl)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23980143
(5R,6S,7S)-2-[tert-butyl(prop-2-enyl)carbamoyl]-3-[(2R)-1-hydroxypropan-2-yl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-6-carboxylic acid
CID 23781336
(5R,6S,7S)-6-N-(4-ethoxyphenyl)-3-[(2R)-1-hydroxypropan-2-yl]-7-methyl-4-oxo-2-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23868296
(5R,6S,7S)-2-N-benzyl-3-[(2S)-1-hydroxybutan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
CID 23980406

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The IUPAC name of (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23868280) is (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.
What is the SMILES notation for (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The canonical SMILES for (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CNC(=O)[C@H]1[C@H]2C(=O)N([C@H](C)CO)C(C(=O)NC(C)(C)C)C23CC[C@]1(C)O3.
What is the InChIKey of (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
The InChIKey is HWXCUVLIFCPJHO-NNLYNPHESA-N. The full InChI is InChI=1S/C19H31N3O5/c1-10(9-23)22-13(15(25)21-17(2,3)4)19-8-7-18(5,27-19)11(14(24)20-6)12(19)16(22)26/h10-13,23H,7-9H2,1-6H3,(H,20,24)(H,21,25)/t10-,11-,12+,13?,18+,19?/m1/s1.
What are the key properties of (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?
(5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 381.47 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7S)-2-N-tert-butyl-3-[(2R)-1-hydroxypropan-2-yl]-6-N,7-dimethyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23868280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).