[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate

C23H34N2O7 — CID 138672956

IUPAC[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate
SMILESC[C@@]12CCCCCC(Cc3ccc(OC(=O)NC[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@H]4O)cc31)[C@@H]2N
InChIInChI=1S/C23H34N2O7/c1-23-8-4-2-3-5-13(20(23)24)9-12-6-7-14(10-15(12)23)31-22(30)25-11-16-17(26)18(27)19(28)21(29)32-16/h6-7,10,13,16-21,26-29H,2-5,8-9,11,24H2,1H3,(H,25,30)/t13?,16-,17+,18+,19-,20+,21+,23-/m1/s1
InChIKeyLVKSZPMRGIZDLU-JPQNKNAXSA-N
MW450.53 g/mol
LogP0.30
Rot. Bonds3

About [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate

[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate (PubChem CID 138672956) has the molecular formula C23H34N2O7 and a molecular weight of 450.53 g/mol. Its IUPAC name is [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate.

Molecular Properties

Compound Name[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate
PubChem CID138672956
Molecular FormulaC23H34N2O7
Molecular Weight450.53 g/mol
Exact Mass450.24
IUPAC Name[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate
SMILESC[C@@]12CCCCCC(Cc3ccc(OC(=O)NC[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@H]4O)cc31)[C@@H]2N
InChIInChI=1S/C23H34N2O7/c1-23-8-4-2-3-5-13(20(23)24)9-12-6-7-14(10-15(12)23)31-22(30)25-11-16-17(26)18(27)19(28)21(29)32-16/h6-7,10,13,16-21,26-29H,2-5,8-9,11,24H2,1H3,(H,25,30)/t13?,16-,17+,18+,19-,20+,21+,23-/m1/s1
InChIKeyLVKSZPMRGIZDLU-JPQNKNAXSA-N
XLogP0.30
TPSA154.50 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.53
LogP ≤ 50.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate with MolForge

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Related Compounds

[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 138671887
1-O-[(1R,9S,16S)-16-amino-1-methyl-4-tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trienyl] 6-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] hexanedioate
CID 139492319
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-(4-propan-2-ylphenyl)carbamate
CID 138672261
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 3-(oxetan-3-yl)propanoate
CID 157393240
2-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 138672954
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxymethyl 2,2-dimethylpropanoate
CID 138672555
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 138671915
(1R,9S,15S)-4-(2-methoxypropan-2-yloxy)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 138672478
6-O-[(1R,9Z,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5,9-tetraenyl] 1-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] hexanedioate
CID 139492360
(1R,9S,16S)-1-methyl-4-(propan-2-yloxymethoxy)tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trien-16-amine
CID 142351095
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156

Frequently Asked Questions

What is the IUPAC name of [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate?
The IUPAC name of [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate (CID 138672956) is [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate.
What is the SMILES notation for [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate?
The canonical SMILES for [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate is C[C@@]12CCCCCC(Cc3ccc(OC(=O)NC[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@H]4O)cc31)[C@@H]2N.
What is the InChIKey of [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate?
The InChIKey is LVKSZPMRGIZDLU-JPQNKNAXSA-N. The full InChI is InChI=1S/C23H34N2O7/c1-23-8-4-2-3-5-13(20(23)24)9-12-6-7-14(10-15(12)23)31-22(30)25-11-16-17(26)18(27)19(28)21(29)32-16/h6-7,10,13,16-21,26-29H,2-5,8-9,11,24H2,1H3,(H,25,30)/t13?,16-,17+,18+,19-,20+,21+,23-/m1/s1.
What are the key properties of [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate?
[(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate has a molecular weight of 450.53 g/mol, XLogP of 0.30, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]carbamate is sourced from PubChem (CID 138672956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).