methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate

C16H18N2O3 — CID 142960386

IUPACmethyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
SMILESCOC(=O)C(N)c1cccc2c(C(N)C(C)=O)cccc12
InChIInChI=1S/C16H18N2O3/c1-9(19)14(17)12-7-3-6-11-10(12)5-4-8-13(11)15(18)16(20)21-2/h3-8,14-15H,17-18H2,1-2H3
InChIKeyAGVNKRSYAGXGOH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate

methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate (PubChem CID 142960386) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
PubChem CID142960386
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
SMILESCOC(=O)C(N)c1cccc2c(C(N)C(C)=O)cccc12
InChIInChI=1S/C16H18N2O3/c1-9(19)14(17)12-7-3-6-11-10(12)5-4-8-13(11)15(18)16(20)21-2/h3-8,14-15H,17-18H2,1-2H3
InChIKeyAGVNKRSYAGXGOH-UHFFFAOYSA-N
XLogP1.60
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
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CID 171208922
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
methyl 2-amino-2-(3-bromo-2-hydroxyphenyl)acetate
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CID 171230140
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
methyl (2R)-2-amino-2-(2-fluoro-3-methoxyphenyl)acetate
CID 171225303
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
methyl 2-amino-2-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)acetate
CID 172781506
methyl (2R)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetate
CID 171253853
1-amino-1-(2-methylphenyl)propan-2-one
CID 55295097

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate?
The IUPAC name of methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate (CID 142960386) is methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate is COC(=O)C(N)c1cccc2c(C(N)C(C)=O)cccc12.
What is the InChIKey of methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate?
The InChIKey is AGVNKRSYAGXGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(19)14(17)12-7-3-6-11-10(12)5-4-8-13(11)15(18)16(20)21-2/h3-8,14-15H,17-18H2,1-2H3.
What are the key properties of methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate?
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate has a molecular weight of 286.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate is sourced from PubChem (CID 142960386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).