methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate

C16H17NO5 — CID 88995479

IUPACmethyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)N(OC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO5/c1-21-16(20)14(10-18)17(22-2)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,18H,10H2,1-2H3
InChIKeyRIEUPYYZMQWLRB-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.38
Rot. Bonds5

About methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate (PubChem CID 88995479) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate
PubChem CID88995479
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namemethyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)N(OC)C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO5/c1-21-16(20)14(10-18)17(22-2)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,18H,10H2,1-2H3
InChIKeyRIEUPYYZMQWLRB-UHFFFAOYSA-N
XLogP1.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
3-hydroxy-2-[naphthalene-1-carbonyl(trifluoromethyl)amino]propanoic acid
CID 70817547
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 173056322
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
CID 129133768
CID 129133768
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
2-(hydroxymethyl)-1-naphthalen-1-ylbutan-1-one
CID 116923135
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
ethyl 2-[naphthalene-1-carbonyl-(naphthalene-1-carbonylamino)amino]acetate
CID 5222454
2-methylpropyl 2-[methyl(naphthalene-1-carbonyl)amino]acetate
CID 91722119

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate (CID 88995479) is methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate is COC(=O)C(CO)N(OC)C(=O)c1cccc2ccccc12.
What is the InChIKey of methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate?
The InChIKey is RIEUPYYZMQWLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-21-16(20)14(10-18)17(22-2)15(19)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14,18H,10H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate has a molecular weight of 303.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[methoxy(naphthalene-1-carbonyl)amino]propanoate is sourced from PubChem (CID 88995479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).