propan-2-yl 2-amino-2-naphthalen-1-ylacetate

C15H17NO2 — CID 139951095

IUPACpropan-2-yl 2-amino-2-naphthalen-1-ylacetate
SMILESCC(C)OC(=O)C(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-10(2)18-15(17)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,16H2,1-2H3
InChIKeySDOHCSNSVYXWIG-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.79
Rot. Bonds3

About propan-2-yl 2-amino-2-naphthalen-1-ylacetate

propan-2-yl 2-amino-2-naphthalen-1-ylacetate (PubChem CID 139951095) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is propan-2-yl 2-amino-2-naphthalen-1-ylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-2-naphthalen-1-ylacetate
PubChem CID139951095
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namepropan-2-yl 2-amino-2-naphthalen-1-ylacetate
SMILESCC(C)OC(=O)C(N)c1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-10(2)18-15(17)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,16H2,1-2H3
InChIKeySDOHCSNSVYXWIG-UHFFFAOYSA-N
XLogP2.79
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
1-aminoethyl 2-naphthalen-1-yl-2-phenylacetate
CID 69049532
1-naphthalen-1-ylethyl carbamate
CID 14959373
[(1R)-1-naphthalen-1-ylethyl] acetate
CID 13082477
dinaphthalen-1-ylmethyl 2-methyl-3-oxobutanoate
CID 102414342
2,3-dihydroxybutanedioic acid;(1R)-1-naphthalen-1-ylethanamine
CID 158376535
2-amino-N-methyl-2-naphthalen-1-yl-N-phenylacetamide
CID 22465041
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-2-naphthalen-1-ylacetate?
The IUPAC name of propan-2-yl 2-amino-2-naphthalen-1-ylacetate (CID 139951095) is propan-2-yl 2-amino-2-naphthalen-1-ylacetate.
What is the SMILES notation for propan-2-yl 2-amino-2-naphthalen-1-ylacetate?
The canonical SMILES for propan-2-yl 2-amino-2-naphthalen-1-ylacetate is CC(C)OC(=O)C(N)c1cccc2ccccc12.
What is the InChIKey of propan-2-yl 2-amino-2-naphthalen-1-ylacetate?
The InChIKey is SDOHCSNSVYXWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(2)18-15(17)14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,16H2,1-2H3.
What are the key properties of propan-2-yl 2-amino-2-naphthalen-1-ylacetate?
propan-2-yl 2-amino-2-naphthalen-1-ylacetate has a molecular weight of 243.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-2-naphthalen-1-ylacetate is sourced from PubChem (CID 139951095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).