methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate

C13H17NO3 — CID 43637145

IUPACmethyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2c(O)cccc21
InChIInChI=1S/C13H17NO3/c1-17-13(16)7-8-14-11-6-5-10-9(11)3-2-4-12(10)15/h2-4,11,14-15H,5-8H2,1H3
InChIKeyRBLXVQYZRFVZAZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds4

About methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate

methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate (PubChem CID 43637145) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
PubChem CID43637145
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
SMILESCOC(=O)CCNC1CCc2c(O)cccc21
InChIInChI=1S/C13H17NO3/c1-17-13(16)7-8-14-11-6-5-10-9(11)3-2-4-12(10)15/h2-4,11,14-15H,5-8H2,1H3
InChIKeyRBLXVQYZRFVZAZ-UHFFFAOYSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate 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 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693
1-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637052
1-[(1-methylcyclopentyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 63822385
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 106413319
1-[(2-chloro-6-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 103291925
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The IUPAC name of methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate (CID 43637145) is methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate is COC(=O)CCNC1CCc2c(O)cccc21.
What is the InChIKey of methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
The InChIKey is RBLXVQYZRFVZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-13(16)7-8-14-11-6-5-10-9(11)3-2-4-12(10)15/h2-4,11,14-15H,5-8H2,1H3.
What are the key properties of methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate?
methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate is sourced from PubChem (CID 43637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).