methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate

C13H17NO2 — CID 24832867

IUPACmethyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
SMILESCOC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-5,12,14H,6-9H2,1H3
InChIKeyOMRREYMZINXGDB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.31
Rot. Bonds4

About methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate

methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate (PubChem CID 24832867) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
PubChem CID24832867
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate
SMILESCOC(=O)CCNC1Cc2ccccc2C1
InChIInChI=1S/C13H17NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-5,12,14H,6-9H2,1H3
InChIKeyOMRREYMZINXGDB-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate?
The IUPAC name of methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate (CID 24832867) is methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate is COC(=O)CCNC1Cc2ccccc2C1.
What is the InChIKey of methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate?
The InChIKey is OMRREYMZINXGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-16-13(15)6-7-14-12-8-10-4-2-3-5-11(10)9-12/h2-5,12,14H,6-9H2,1H3.
What are the key properties of methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate?
methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1H-inden-2-ylamino)propanoate is sourced from PubChem (CID 24832867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).