methyl 2-(naphthalene-1-carbonylamino)acetate

C14H13NO3 — CID 19789843

IUPACmethyl 2-(naphthalene-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-18-13(16)9-15-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyLRNSNUNTKVWGIK-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.74
Rot. Bonds3

About methyl 2-(naphthalene-1-carbonylamino)acetate

methyl 2-(naphthalene-1-carbonylamino)acetate (PubChem CID 19789843) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-(naphthalene-1-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(naphthalene-1-carbonylamino)acetate
PubChem CID19789843
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethyl 2-(naphthalene-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-18-13(16)9-15-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyLRNSNUNTKVWGIK-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
N-(2-amino-2-oxoethyl)naphthalene-1-carboxamide
CID 4059241
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
methyl (E)-7-(naphthalene-1-carbonylamino)-6-oxohept-2-enoate
CID 158483247
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 2-[(2-benzylbenzoyl)amino]acetate
CID 78800072
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalene-1-carbonylamino)acetate?
The IUPAC name of methyl 2-(naphthalene-1-carbonylamino)acetate (CID 19789843) is methyl 2-(naphthalene-1-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(naphthalene-1-carbonylamino)acetate?
The canonical SMILES for methyl 2-(naphthalene-1-carbonylamino)acetate is COC(=O)CNC(=O)c1cccc2ccccc12.
What is the InChIKey of methyl 2-(naphthalene-1-carbonylamino)acetate?
The InChIKey is LRNSNUNTKVWGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-13(16)9-15-14(17)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of methyl 2-(naphthalene-1-carbonylamino)acetate?
methyl 2-(naphthalene-1-carbonylamino)acetate has a molecular weight of 243.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalene-1-carbonylamino)acetate is sourced from PubChem (CID 19789843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).