methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate

C14H14N2O3 — CID 10904773

IUPACmethyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
SMILES[H]/N=C(\N)c1ccc2cc(OCC(=O)OC)ccc2c1
InChIInChI=1S/C14H14N2O3/c1-18-13(17)8-19-12-5-4-9-6-11(14(15)16)3-2-10(9)7-12/h2-7H,8H2,1H3,(H3,15,16)
InChIKeySUTYAGCPOVVCFN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate

methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate (PubChem CID 10904773) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
PubChem CID10904773
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Namemethyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate
SMILES[H]/N=C(\N)c1ccc2cc(OCC(=O)OC)ccc2c1
InChIInChI=1S/C14H14N2O3/c1-18-13(17)8-19-12-5-4-9-6-11(14(15)16)3-2-10(9)7-12/h2-7H,8H2,1H3,(H3,15,16)
InChIKeySUTYAGCPOVVCFN-UHFFFAOYSA-N
XLogP1.68
TPSA85.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methoxynaphthalene-2-carboximidamide
CID 3274917
tert-butyl 2-[4-[2-(6-carbamimidoylnaphthalen-2-yl)ethyl]phenoxy]acetate
CID 10644932
methyl 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]phenoxy]acetate
CID 10361733
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
6-[(4-methylphenyl)methoxy]naphthalene-2-carboximidamide
CID 131981178
(6-carbamimidoylnaphthalen-2-yl) octadecanoate
CID 13146240
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
methyl 5-[[2-(4-carbamimidoylphenoxy)acetyl]amino]-2-(2-methoxy-2-oxoethoxy)benzoate
CID 139659426
tert-butyl 2-[4-[(6-carbamimidoyl-2-benzofuran-1-carbonyl)amino]phenoxy]acetate
CID 67721890
methyl 2-[(2-amino-2,3-dihydro-1H-inden-5-yl)oxy]acetate;hydrochloride
CID 86744373
methyl 2-[6-(2-methoxy-2-oxoethoxy)naphthalen-2-yl]propanoate
CID 59253984
(6-carbamimidoylnaphthalen-2-yl) 4-aminobenzoate
CID 13176884

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate?
The IUPAC name of methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate (CID 10904773) is methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate is [H]/N=C(\N)c1ccc2cc(OCC(=O)OC)ccc2c1.
What is the InChIKey of methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate?
The InChIKey is SUTYAGCPOVVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-18-13(17)8-19-12-5-4-9-6-11(14(15)16)3-2-10(9)7-12/h2-7H,8H2,1H3,(H3,15,16).
What are the key properties of methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate?
methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate has a molecular weight of 258.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-carbamimidoylnaphthalen-2-yl)oxyacetate is sourced from PubChem (CID 10904773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).