2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine

C19H27NO7 — CID 21461147

IUPAC2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
SMILESCOc1ccc2c(c1)C(C1CCNCC1)CC2.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H21NO.C4H6O6/c1-17-13-4-2-11-3-5-14(15(11)10-13)12-6-8-16-9-7-12;5-1(3(7)8)2(6)4(9)10/h2,4,10,12,14,16H,3,5-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyITJSRZXQYZVMDB-UHFFFAOYSA-N
MW381.43 g/mol
LogP0.60
Rot. Bonds5

About 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine

2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine (PubChem CID 21461147) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine.

Molecular Properties

Compound Name2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
PubChem CID21461147
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine
SMILESCOc1ccc2c(c1)C(C1CCNCC1)CC2.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C15H21NO.C4H6O6/c1-17-13-4-2-11-3-5-14(15(11)10-13)12-6-8-16-9-7-12;5-1(3(7)8)2(6)4(9)10/h2,4,10,12,14,16H,3,5-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
InChIKeyITJSRZXQYZVMDB-UHFFFAOYSA-N
XLogP0.60
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 50.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrrolidine
CID 79368569
6-methoxy-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 134188965
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]propan-1-one
CID 21461194
2-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]-N-methylacetamide
CID 139707137
ethane;6-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 142283526
methyl 2-hydroxy-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 79367554
(2R,3S)-3-hydroxy-1-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]-2-methylbutan-1-one
CID 102574394
4-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-1-yl]thiadiazole
CID 70279955
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 115511253
(4aR,10bS)-9-methoxy-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]quinoline
CID 67194889
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine?
The IUPAC name of 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine (CID 21461147) is 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine.
What is the SMILES notation for 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine?
The canonical SMILES for 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine is COc1ccc2c(c1)C(C1CCNCC1)CC2.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine?
The InChIKey is ITJSRZXQYZVMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.C4H6O6/c1-17-13-4-2-11-3-5-14(15(11)10-13)12-6-8-16-9-7-12;5-1(3(7)8)2(6)4(9)10/h2,4,10,12,14,16H,3,5-9H2,1H3;1-2,5-6H,(H,7,8)(H,9,10).
What are the key properties of 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine?
2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine has a molecular weight of 381.43 g/mol, XLogP of 0.60, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxybutanedioic acid;4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidine is sourced from PubChem (CID 21461147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).