(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione

C17H25N3O3 — CID 143903440

IUPAC(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione
SMILESCC(C)C1COCCC(=O)Nc2ccc(cc2)C[C@@H](N)C(=O)N1
InChIInChI=1S/C17H25N3O3/c1-11(2)15-10-23-8-7-16(21)19-13-5-3-12(4-6-13)9-14(18)17(22)20-15/h3-6,11,14-15H,7-10,18H2,1-2H3,(H,19,21)(H,20,22)/t14-,15?/m1/s1
InChIKeyZQSIHRIGCVMJIB-GICMACPYSA-N
MW319.40 g/mol
LogP1.06
Rot. Bonds1

About (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione

(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione (PubChem CID 143903440) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione.

Molecular Properties

Compound Name(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione
PubChem CID143903440
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione
SMILESCC(C)C1COCCC(=O)Nc2ccc(cc2)C[C@@H](N)C(=O)N1
InChIInChI=1S/C17H25N3O3/c1-11(2)15-10-23-8-7-16(21)19-13-5-3-12(4-6-13)9-14(18)17(22)20-15/h3-6,11,14-15H,7-10,18H2,1-2H3,(H,19,21)(H,20,22)/t14-,15?/m1/s1
InChIKeyZQSIHRIGCVMJIB-GICMACPYSA-N
XLogP1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione with MolForge

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Launch Full Analysis

Related Compounds

[(8S,11R)-3,10-dioxo-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]carbamic acid
CID 67320337
(2R)-6-amino-2-[3-[(8S,11S)-3,10-dioxo-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-oxopropyl]hexanoic acid
CID 58360485
(3S,6S)-6-amino-3-propan-2-yl-1,4-oxazocan-5-one
CID 131123001
(2R)-6-amino-2-[3-[(8S,11S)-3,10-dioxo-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-oxopropyl]hexanoic acid;tert-butyl (2R)-2-[3-[(8S,11S)-3,10-dioxo-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-oxopropyl]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 162021856
9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadecan-11-one
CID 141420885
(2S)-3-(6-amino-3-pyridinyl)-2-[[(3R,6S)-4-oxo-6-propan-2-yl-8-oxa-5-azabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]carbamoylamino]propanoic acid
CID 44544828
3-(6-amino-3-pyridinyl)-2-methyl-2-[(11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl)carbamoylamino]propanoic acid
CID 123616709
3-methyl-1,4-oxazepan-5-one
CID 55298771
3-aminopiperidine-2,6-dione;hydron;chloride
CID 22455952
(3R)-3-aminopiperidine-2,6-dione;hydrobromide
CID 69352156
(2S)-6-amino-2-[[(9S,12R)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]carbamoylamino]hexanoic acid
CID 67319689
9H-fluoren-9-ylmethyl N-[(4E,9S,12R)-11-oxo-9-propan-2-yl-2,7-dioxa-10-azabicyclo[12.2.2]octadeca-1(16),4,14,17-tetraen-12-yl]carbamate
CID 88928361

Frequently Asked Questions

What is the IUPAC name of (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione?
The IUPAC name of (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione (CID 143903440) is (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione.
What is the SMILES notation for (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione?
The canonical SMILES for (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione is CC(C)C1COCCC(=O)Nc2ccc(cc2)C[C@@H](N)C(=O)N1.
What is the InChIKey of (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione?
The InChIKey is ZQSIHRIGCVMJIB-GICMACPYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(2)15-10-23-8-7-16(21)19-13-5-3-12(4-6-13)9-14(18)17(22)20-15/h3-6,11,14-15H,7-10,18H2,1-2H3,(H,19,21)(H,20,22)/t14-,15?/m1/s1.
What are the key properties of (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione?
(11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione has a molecular weight of 319.40 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-amino-8-propan-2-yl-6-oxa-2,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene-3,10-dione is sourced from PubChem (CID 143903440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).