methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate

C17H25NO2 — CID 82351467

IUPACmethyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(Cc1ccc2c(c1)CCC2)NC(C)C
InChIInChI=1S/C17H25NO2/c1-12(2)18-16(11-17(19)20-3)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16,18H,4-6,10-11H2,1-3H3
InChIKeyGQWCXTTXYMICLW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.65
Rot. Bonds6

About methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate

methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate (PubChem CID 82351467) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
PubChem CID82351467
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
SMILESCOC(=O)CC(Cc1ccc2c(c1)CCC2)NC(C)C
InChIInChI=1S/C17H25NO2/c1-12(2)18-16(11-17(19)20-3)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16,18H,4-6,10-11H2,1-3H3
InChIKeyGQWCXTTXYMICLW-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate with MolForge

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Related Compounds

methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351461
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
CID 112533171
N-propan-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 82262476
methyl 4-(4-ethoxyphenyl)-3-(propan-2-ylamino)butanoate
CID 82351403
methyl 4-(3,4-difluorophenyl)-3-(methylamino)butanoate
CID 82351619
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
4-(2,3-dihydro-1H-inden-5-yl)-3-(pentylamino)butanoic acid
CID 82350813
methyl 3-(ethylamino)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 82347855

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate (CID 82351467) is methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate is COC(=O)CC(Cc1ccc2c(c1)CCC2)NC(C)C.
What is the InChIKey of methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate?
The InChIKey is GQWCXTTXYMICLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)18-16(11-17(19)20-3)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,16,18H,4-6,10-11H2,1-3H3.
What are the key properties of methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate?
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate has a molecular weight of 275.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate is sourced from PubChem (CID 82351467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).