2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate

C14H19NO2 — CID 82116252

IUPAC2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-9(2)13(15)14(16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5,15H2,1-2H3
InChIKeyJLZFZUTWIXNNRX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate

2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate (PubChem CID 82116252) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
PubChem CID82116252
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C14H19NO2/c1-9(2)13(15)14(16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5,15H2,1-2H3
InChIKeyJLZFZUTWIXNNRX-UHFFFAOYSA-N
XLogP2.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutanamide
CID 82041277
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
3-(2,3-dihydro-1H-inden-5-yloxy)butan-2-amine
CID 61354580
2-(2,3-dihydro-1H-inden-5-yloxy)-3-methylbutan-1-amine
CID 62459614
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(4-methylphenyl)propan-1-one
CID 43411837
2,3-dihydro-1H-inden-5-yl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69402955
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3-methylbutan-2-yl)acetamide
CID 84602200
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-methylbutanoic acid
CID 112509249
1-O-methyl 4-O-(5,6,7,8-tetrahydronaphthalen-2-yl) butanedioate
CID 94274501
5,6,7,8-tetrahydronaphthalen-2-yl 2-methoxyacetate
CID 110493686
4-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 64719056

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate (CID 82116252) is 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)Oc1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate?
The InChIKey is JLZFZUTWIXNNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13(15)14(16)17-12-7-6-10-4-3-5-11(10)8-12/h6-9,13H,3-5,15H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate?
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate has a molecular weight of 233.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate is sourced from PubChem (CID 82116252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).