methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate

C17H21NO4 — CID 15578577

IUPACmethyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
SMILESCOC(=O)CCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H21NO4/c1-21-17(20)9-10-18-11-14(19)12-22-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,18-19H,9-12H2,1H3
InChIKeyDSBJUVSPRLRQTR-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.73
Rot. Bonds8

About methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate

methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate (PubChem CID 15578577) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
PubChem CID15578577
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namemethyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
SMILESCOC(=O)CCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C17H21NO4/c1-21-17(20)9-10-18-11-14(19)12-22-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,18-19H,9-12H2,1H3
InChIKeyDSBJUVSPRLRQTR-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
methyl 3-[(2-naphthalen-1-yloxyacetyl)amino]propanoate
CID 26635464
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate (CID 15578577) is methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate is COC(=O)CCNCC(O)COc1cccc2ccccc12.
What is the InChIKey of methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate?
The InChIKey is DSBJUVSPRLRQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-21-17(20)9-10-18-11-14(19)12-22-16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14,18-19H,9-12H2,1H3.
What are the key properties of methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate?
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate has a molecular weight of 303.36 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate is sourced from PubChem (CID 15578577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).