methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate

C16H21NO2 — CID 59355888

IUPACmethyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate
SMILESCOC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1N
InChIInChI=1S/C16H21NO2/c1-19-16(18)13(8-10-6-7-10)15-12-5-3-2-4-11(12)9-14(15)17/h2-5,10,13-15H,6-9,17H2,1H3/t13?,14-,15+/m1/s1
InChIKeyIKVSMXVKDLRHHY-DMJDIKPUSA-N
MW259.35 g/mol
LogP2.24
Rot. Bonds4

About methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate

methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate (PubChem CID 59355888) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate
PubChem CID59355888
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namemethyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate
SMILESCOC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1N
InChIInChI=1S/C16H21NO2/c1-19-16(18)13(8-10-6-7-10)15-12-5-3-2-4-11(12)9-14(15)17/h2-5,10,13-15H,6-9,17H2,1H3/t13?,14-,15+/m1/s1
InChIKeyIKVSMXVKDLRHHY-DMJDIKPUSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate?
The IUPAC name of methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate (CID 59355888) is methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate.
What is the SMILES notation for methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate?
The canonical SMILES for methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate is COC(=O)C(CC1CC1)[C@@H]1c2ccccc2C[C@H]1N.
What is the InChIKey of methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate?
The InChIKey is IKVSMXVKDLRHHY-DMJDIKPUSA-N. The full InChI is InChI=1S/C16H21NO2/c1-19-16(18)13(8-10-6-7-10)15-12-5-3-2-4-11(12)9-14(15)17/h2-5,10,13-15H,6-9,17H2,1H3/t13?,14-,15+/m1/s1.
What are the key properties of methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate?
methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate has a molecular weight of 259.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R,2R)-2-amino-2,3-dihydro-1H-inden-1-yl]-3-cyclopropylpropanoate is sourced from PubChem (CID 59355888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).