methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate

C14H13NO3 — CID 126500414

IUPACmethyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)15-13(16)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyPVJJYWJJZBZBQA-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.26
Rot. Bonds1

About methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate

methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate (PubChem CID 126500414) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
PubChem CID126500414
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)15-13(16)14(17)18-2/h3-8H,1-2H3,(H,15,16)
InChIKeyPVJJYWJJZBZBQA-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
CID 75427067
ethyl 2-[[1-[(2-ethoxy-2-oxoacetyl)amino]naphthalen-2-yl]amino]-2-oxoacetate
CID 15066353
N-(2-methylnaphthalen-1-yl)but-2-enamide
CID 154201467
N'-(2-methylnaphthalen-1-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 164886449
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
CID 72853713
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate (CID 126500414) is methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1c(C)ccc2ccccc12.
What is the InChIKey of methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate?
The InChIKey is PVJJYWJJZBZBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)15-13(16)14(17)18-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate?
methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate has a molecular weight of 243.26 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate is sourced from PubChem (CID 126500414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).