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

C14H19NO2 — CID 82351473

IUPACmethyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCOC(=O)CC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-17-14(16)9-13(15)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13H,2-4,8-9,15H2,1H3
InChIKeyGBCKLEHVBGPLCI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.61
Rot. Bonds4

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

methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate (PubChem CID 82351473) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
PubChem CID82351473
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
SMILESCOC(=O)CC(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-17-14(16)9-13(15)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13H,2-4,8-9,15H2,1H3
InChIKeyGBCKLEHVBGPLCI-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(propan-2-ylamino)butanoate
CID 82351467
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
methyl 3-amino-4-(3,4-dihydroxyphenyl)butanoate
CID 70879837
methyl (3S)-3-amino-4-(3,4-dichlorophenyl)butanoate
CID 68773139
methyl 3-(butan-2-ylamino)-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351461
methyl 3-amino-4-[4-(2-methylpropyl)phenyl]butanoate
CID 82351578
methyl (2R)-2-methyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propanoate
CID 159670756
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
methyl 3-[2-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoate
CID 115232486
methyl 3-amino-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanoate
CID 82351441

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The IUPAC name of methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate (CID 82351473) is methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate.
What is the SMILES notation for methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The canonical SMILES for methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate is COC(=O)CC(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
The InChIKey is GBCKLEHVBGPLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-17-14(16)9-13(15)8-10-5-6-11-3-2-4-12(11)7-10/h5-7,13H,2-4,8-9,15H2,1H3.
What are the key properties of methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate?
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate has a molecular weight of 233.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate is sourced from PubChem (CID 82351473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).