(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate

C15H21NO3 — CID 103137050

IUPAC(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
SMILESCC1CCC(COC(=O)CCc2cccc(N)c2)O1
InChIInChI=1S/C15H21NO3/c1-11-5-7-14(19-11)10-18-15(17)8-6-12-3-2-4-13(16)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3
InChIKeyFDTIWWCGMZXDRC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds5

About (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate

(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate (PubChem CID 103137050) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
PubChem CID103137050
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
SMILESCC1CCC(COC(=O)CCc2cccc(N)c2)O1
InChIInChI=1S/C15H21NO3/c1-11-5-7-14(19-11)10-18-15(17)8-6-12-3-2-4-13(16)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3
InChIKeyFDTIWWCGMZXDRC-UHFFFAOYSA-N
XLogP2.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5,5-dimethyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
CID 116523265
(5-methyloxolan-2-yl)methyl 2-(4-aminophenyl)acetate
CID 103136975
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
(3-methylcyclohexyl) 3-(3-aminophenyl)propanoate
CID 80701584
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
oxolan-3-yl 3-(3-aminophenyl)propanoate
CID 80700797
(5-methyloxolan-2-yl)methyl 5-amino-2-bromobenzoate
CID 103137017
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
(5,5-dimethyloxolan-2-yl)methyl 2-(3-aminophenyl)acetate
CID 116523255
pentan-3-yl 3-(3-aminophenyl)propanoate
CID 80701081

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate?
The IUPAC name of (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate (CID 103137050) is (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate.
What is the SMILES notation for (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate?
The canonical SMILES for (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate is CC1CCC(COC(=O)CCc2cccc(N)c2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate?
The InChIKey is FDTIWWCGMZXDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-7-14(19-11)10-18-15(17)8-6-12-3-2-4-13(16)9-12/h2-4,9,11,14H,5-8,10,16H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate?
(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate is sourced from PubChem (CID 103137050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).