(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride

C17H25ClN2O3 — CID 146117872

IUPAC(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride
SMILESCOC[C@H]1C[C@@H](NCc2cn(C)c3ccccc23)[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-19-9-12(13-5-3-4-6-15(13)19)8-18-14-7-11(10-22-2)16(20)17(14)21;/h3-6,9,11,14,16-18,20-21H,7-8,10H2,1-2H3;1H/t11-,14-,16-,17+;/m1./s1
InChIKeyGZZOPOOFZRMAAO-IDOYVNTPSA-N
MW340.85 g/mol
LogP1.45
Rot. Bonds5

About (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride

(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride (PubChem CID 146117872) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride
PubChem CID146117872
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride
SMILESCOC[C@H]1C[C@@H](NCc2cn(C)c3ccccc23)[C@H](O)[C@@H]1O.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-19-9-12(13-5-3-4-6-15(13)19)8-18-14-7-11(10-22-2)16(20)17(14)21;/h3-6,9,11,14,16-18,20-21H,7-8,10H2,1-2H3;1H/t11-,14-,16-,17+;/m1./s1
InChIKeyGZZOPOOFZRMAAO-IDOYVNTPSA-N
XLogP1.45
TPSA66.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride with MolForge

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Related Compounds

1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605
3-(methoxymethyl)-1-methylindole
CID 18711466
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
3-methoxy-2-[(1-methylindol-3-yl)methylamino]propan-1-ol
CID 106187372
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
4-hydroxy-3-[(1-methyl-4-oxoquinolin-3-yl)methylamino]piperidine-1-carboxylic acid
CID 175725575
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
CID 98783390

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride (CID 146117872) is (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride is COC[C@H]1C[C@@H](NCc2cn(C)c3ccccc23)[C@H](O)[C@@H]1O.Cl.
What is the InChIKey of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride?
The InChIKey is GZZOPOOFZRMAAO-IDOYVNTPSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-19-9-12(13-5-3-4-6-15(13)19)8-18-14-7-11(10-22-2)16(20)17(14)21;/h3-6,9,11,14,16-18,20-21H,7-8,10H2,1-2H3;1H/t11-,14-,16-,17+;/m1./s1.
What are the key properties of (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride?
(1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,5R)-3-(methoxymethyl)-5-[(1-methylindol-3-yl)methylamino]cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 146117872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).