(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol

C19H22N2O2 — CID 126673581

IUPAC(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2[C@H]1COC[C@@H](N)[C@@H]1O
InChIInChI=1S/C19H22N2O2/c1-11-3-5-16-13(7-11)14-8-12(2)4-6-17(14)21(16)18-10-23-9-15(20)19(18)22/h3-8,15,18-19,22H,9-10,20H2,1-2H3/t15-,18+,19+/m1/s1
InChIKeyNBZWOVCZSOIQGZ-MNEFBYGVSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds1

About (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol

(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol (PubChem CID 126673581) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol.

Molecular Properties

Compound Name(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol
PubChem CID126673581
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2[C@H]1COC[C@@H](N)[C@@H]1O
InChIInChI=1S/C19H22N2O2/c1-11-3-5-16-13(7-11)14-8-12(2)4-6-17(14)21(16)18-10-23-9-15(20)19(18)22/h3-8,15,18-19,22H,9-10,20H2,1-2H3/t15-,18+,19+/m1/s1
InChIKeyNBZWOVCZSOIQGZ-MNEFBYGVSA-N
XLogP2.67
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5S)-5-(3,6-dichlorocarbazol-9-yl)oxane-3,4-diol
CID 126530816
(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
CID 126693816
(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol
CID 126673585
(3S,4S)-3-(3,6-dichlorocarbazol-9-yl)oxan-4-ol
CID 155083992
tert-butyl (3S,4S,5S)-3-amino-5-(3,6-dichlorocarbazol-9-yl)-4-hydroxypiperidine-1-carboxylate
CID 135315579
(3R,4S)-3-amino-1,6-dimethyl-3,4-dihydro-2H-quinolin-4-ol
CID 97028375
4-[(3-methylphenyl)methyl]oxolan-3-amine
CID 83484011
9-iodo-3,6-dimethylcarbazole
CID 129082868
(3aS,6aR)-5-(4-methylphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 166093672
3-(2-hydroxycyclohexyl)-6-methyl-1H-benzimidazole-2-thione
CID 62358715
3-amino-6-methyl-2,3-dihydro-1H-inden-1-ol
CID 82157980
1,5-dimethyl-3-(oxan-4-yl)indole
CID 170793056

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol?
The IUPAC name of (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol (CID 126673581) is (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol.
What is the SMILES notation for (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol?
The canonical SMILES for (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol is Cc1ccc2c(c1)c1cc(C)ccc1n2[C@H]1COC[C@@H](N)[C@@H]1O.
What is the InChIKey of (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol?
The InChIKey is NBZWOVCZSOIQGZ-MNEFBYGVSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-11-3-5-16-13(7-11)14-8-12(2)4-6-17(14)21(16)18-10-23-9-15(20)19(18)22/h3-8,15,18-19,22H,9-10,20H2,1-2H3/t15-,18+,19+/m1/s1.
What are the key properties of (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol?
(3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol has a molecular weight of 310.40 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-amino-5-(3,6-dimethylcarbazol-9-yl)oxan-4-ol is sourced from PubChem (CID 126673581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).