[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate

C14H13NO2 — CID 88545868

IUPAC[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate
SMILESCC(=O)ON[C@@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C14H13NO2/c1-9(16)17-15-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13,15H,8H2,1H3/t13-/m1/s1
InChIKeyJONPCMQZAKTTQD-CYBMUJFWSA-N
MW227.26 g/mol
LogP2.50
Rot. Bonds2

About [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate

[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate (PubChem CID 88545868) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate.

Molecular Properties

Compound Name[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate
PubChem CID88545868
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate
SMILESCC(=O)ON[C@@H]1Cc2cccc3cccc1c23
InChIInChI=1S/C14H13NO2/c1-9(16)17-15-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13,15H,8H2,1H3/t13-/m1/s1
InChIKeyJONPCMQZAKTTQD-CYBMUJFWSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate?
The IUPAC name of [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate (CID 88545868) is [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate.
What is the SMILES notation for [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate?
The canonical SMILES for [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate is CC(=O)ON[C@@H]1Cc2cccc3cccc1c23.
What is the InChIKey of [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate?
The InChIKey is JONPCMQZAKTTQD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13NO2/c1-9(16)17-15-13-8-11-6-2-4-10-5-3-7-12(13)14(10)11/h2-7,13,15H,8H2,1H3/t13-/m1/s1.
What are the key properties of [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate?
[[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate has a molecular weight of 227.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-1,2-dihydroacenaphthylen-1-yl]amino] acetate is sourced from PubChem (CID 88545868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).