methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate

C15H21NO3 — CID 166126095

IUPACmethyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate
SMILESCOC(=O)CCCCc1ccc2c(c1O)CC(N)C2
InChIInChI=1S/C15H21NO3/c1-19-14(17)5-3-2-4-10-6-7-11-8-12(16)9-13(11)15(10)18/h6-7,12,18H,2-5,8-9,16H2,1H3
InChIKeyJYVVKWKGLCSMBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds5

About methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate

methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate (PubChem CID 166126095) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate
PubChem CID166126095
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate
SMILESCOC(=O)CCCCc1ccc2c(c1O)CC(N)C2
InChIInChI=1S/C15H21NO3/c1-19-14(17)5-3-2-4-10-6-7-11-8-12(16)9-13(11)15(10)18/h6-7,12,18H,2-5,8-9,16H2,1H3
InChIKeyJYVVKWKGLCSMBO-UHFFFAOYSA-N
XLogP1.70
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate 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

methyl 5-(2-amino-2,3-dihydro-1H-inden-4-yl)pentanoate
CID 166126168
ethyl 4-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)butanoate
CID 166125748
methyl 4-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)oxy]butanoate
CID 166125883
methyl 3-(2-amino-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanoate
CID 166125517
3-(2-amino-4-methoxy-2,3-dihydro-1H-inden-5-yl)propanoic acid
CID 166125565
methyl 4-(2-hydroxy-3-iodophenyl)butanoate
CID 155290713
methyl 3-[(2-amino-6-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]propanoate
CID 166125549
dimethyl hexanedioate;λ2-stannane
CID 173290075
cyclopentylmethanol;ethane;methyl 4-(2-hydroxyphenyl)butanoate
CID 144555066
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
methyl 2-amino-5-ethoxy-2,3-dihydro-1H-indene-4-carboxylate
CID 171725932
ethyl 2-(2-amino-2,3-dihydro-1H-inden-4-yl)acetate
CID 166125661

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate?
The IUPAC name of methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate (CID 166126095) is methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate.
What is the SMILES notation for methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate?
The canonical SMILES for methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate is COC(=O)CCCCc1ccc2c(c1O)CC(N)C2.
What is the InChIKey of methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate?
The InChIKey is JYVVKWKGLCSMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-14(17)5-3-2-4-10-6-7-11-8-12(16)9-13(11)15(10)18/h6-7,12,18H,2-5,8-9,16H2,1H3.
What are the key properties of methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate?
methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate has a molecular weight of 263.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-4-hydroxy-2,3-dihydro-1H-inden-5-yl)pentanoate is sourced from PubChem (CID 166126095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).