formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol

C17H24N2O5 — CID 154909128

IUPACformic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc2[nH]c(CN3C[C@H](OC)[C@@H](O)C3)c(C)c2c1.O=CO
InChIInChI=1S/C16H22N2O3.CH2O2/c1-10-12-6-11(20-2)4-5-13(12)17-14(10)7-18-8-15(19)16(9-18)21-3;2-1-3/h4-6,15-17,19H,7-9H2,1-3H3;1H,(H,2,3)/t15-,16-;/m0./s1
InChIKeyNKGINMQPPPJEHZ-MOGJOVFKSA-N
MW336.39 g/mol
LogP1.38
Rot. Bonds4

About formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol

formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 154909128) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Nameformic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID154909128
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nameformic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
SMILESCOc1ccc2[nH]c(CN3C[C@H](OC)[C@@H](O)C3)c(C)c2c1.O=CO
InChIInChI=1S/C16H22N2O3.CH2O2/c1-10-12-6-11(20-2)4-5-13(12)17-14(10)7-18-8-15(19)16(9-18)21-3;2-1-3/h4-6,15-17,19H,7-9H2,1-3H3;1H,(H,2,3)/t15-,16-;/m0./s1
InChIKeyNKGINMQPPPJEHZ-MOGJOVFKSA-N
XLogP1.38
TPSA95.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95229107
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45215915
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
3-(5-methoxy-3-methyl-1H-indol-2-yl)-2-methylpropanoic acid
CID 84632755
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 29085132
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798373

Frequently Asked Questions

What is the IUPAC name of formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol (CID 154909128) is formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol is COc1ccc2[nH]c(CN3C[C@H](OC)[C@@H](O)C3)c(C)c2c1.O=CO.
What is the InChIKey of formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is NKGINMQPPPJEHZ-MOGJOVFKSA-N. The full InChI is InChI=1S/C16H22N2O3.CH2O2/c1-10-12-6-11(20-2)4-5-13(12)17-14(10)7-18-8-15(19)16(9-18)21-3;2-1-3/h4-6,15-17,19H,7-9H2,1-3H3;1H,(H,2,3)/t15-,16-;/m0./s1.
What are the key properties of formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol?
formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 336.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 154909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).