(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate

C16H18N2O3 — CID 102878375

IUPAC(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate
SMILESCc1cncc(COC(=O)CCOc2ccccc2N)c1
InChIInChI=1S/C16H18N2O3/c1-12-8-13(10-18-9-12)11-21-16(19)6-7-20-15-5-3-2-4-14(15)17/h2-5,8-10H,6-7,11,17H2,1H3
InChIKeyJAJPTTZSMLZZRD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.48
Rot. Bonds6

About (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate

(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate (PubChem CID 102878375) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate
PubChem CID102878375
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate
SMILESCc1cncc(COC(=O)CCOc2ccccc2N)c1
InChIInChI=1S/C16H18N2O3/c1-12-8-13(10-18-9-12)11-21-16(19)6-7-20-15-5-3-2-4-14(15)17/h2-5,8-10H,6-7,11,17H2,1H3
InChIKeyJAJPTTZSMLZZRD-UHFFFAOYSA-N
XLogP2.48
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
(2-bromophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61321553
(2-fluorophenyl)methyl 3-(2-aminophenoxy)propanoate
CID 61316164
(3-amino-3-oxopropyl) 3-(2-aminophenoxy)propanoate
CID 61314280
(5-methyl-3-pyridinyl)methyl 2-amino-3-methoxybenzoate
CID 102878407
methyl 4-[3-(2-aminophenoxy)propanoyloxy]butanoate
CID 61314466
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
(5-methyl-3-pyridinyl)methyl 3-(1,3-benzothiazol-6-yl)propanoate
CID 166360199
(5-bromo-3-pyridinyl)methyl 3-(3-aminophenoxy)propanoate
CID 104808427
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
3-(2-aminophenoxy)propanamide
CID 39869131
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate?
The IUPAC name of (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate (CID 102878375) is (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate.
What is the SMILES notation for (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate?
The canonical SMILES for (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate is Cc1cncc(COC(=O)CCOc2ccccc2N)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate?
The InChIKey is JAJPTTZSMLZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-8-13(10-18-9-12)11-21-16(19)6-7-20-15-5-3-2-4-14(15)17/h2-5,8-10H,6-7,11,17H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate?
(5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)methyl 3-(2-aminophenoxy)propanoate is sourced from PubChem (CID 102878375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).