methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate

C16H17NO4 — CID 61030402

IUPACmethyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H17NO4/c1-17(8-7-15(19)21-2)16(20)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyVFFXVUAXTOSELA-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.18
Rot. Bonds4

About methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate

methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate (PubChem CID 61030402) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
PubChem CID61030402
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C16H17NO4/c1-17(8-7-15(19)21-2)16(20)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyVFFXVUAXTOSELA-UHFFFAOYSA-N
XLogP2.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-methyl-N-propylnaphthalene-2-carboxamide
CID 43624990
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513
methyl 3-[(5-chloro-2-methylbenzoyl)-methylamino]propanoate
CID 113329866
methyl 3-[(2,6-dichloropyridine-3-carbonyl)-methylamino]propanoate
CID 106993631
methyl 3-[(3-amino-2-methylbenzoyl)-methylamino]propanoate
CID 54997083
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 61032083
methyl 3-[(3-methoxy-3-oxopropyl)-(1-naphthalen-2-ylethyl)amino]propanoate
CID 22348138
methyl 3-[(5-hydroxypyridine-3-carbonyl)-methylamino]propanoate
CID 63850703

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate (CID 61030402) is methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1cc2ccccc2cc1O.
What is the InChIKey of methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate?
The InChIKey is VFFXVUAXTOSELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-17(8-7-15(19)21-2)16(20)13-9-11-5-3-4-6-12(11)10-14(13)18/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate?
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate has a molecular weight of 287.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 61030402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).