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

C13H17NO2 — CID 60780698

IUPACmethyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
SMILESCOC(=O)C(C)NC1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(13(15)16-2)14-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyFBEQEGSNYXVEBR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.83
Rot. Bonds3

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

methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate (PubChem CID 60780698) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
PubChem CID60780698
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namemethyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate
SMILESCOC(=O)C(C)NC1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-9(13(15)16-2)14-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12,14H,7-8H2,1-2H3
InChIKeyFBEQEGSNYXVEBR-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanoate
CID 43723688
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
2-(2,3-dihydro-1H-inden-1-ylamino)-N-(2-methoxyphenyl)propanamide
CID 42926288
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43411283
methyl (2S)-2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propanoate
CID 115531954
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 113369459
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 42887654
N-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 54950260
2-[1-(2,3-dihydro-1H-inden-1-ylamino)ethyl]phenol
CID 43204004
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylbutan-2-ol
CID 65333179

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate (CID 60780698) is methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate is COC(=O)C(C)NC1CCc2ccccc21.
What is the InChIKey of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
The InChIKey is FBEQEGSNYXVEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(13(15)16-2)14-12-8-7-10-5-3-4-6-11(10)12/h3-6,9,12,14H,7-8H2,1-2H3.
What are the key properties of methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate?
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate has a molecular weight of 219.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1H-inden-1-ylamino)propanoate is sourced from PubChem (CID 60780698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).