methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate

C12H17ClN2O3 — CID 113331207

IUPACmethyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1ncccc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-17-9-8-15(7-5-11(16)18-2)12-10(13)4-3-6-14-12/h3-4,6H,5,7-9H2,1-2H3
InChIKeyHVTDCKQAHSSFEK-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.75
Rot. Bonds7

About methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 113331207) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
PubChem CID113331207
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Namemethyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1ncccc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-17-9-8-15(7-5-11(16)18-2)12-10(13)4-3-6-14-12/h3-4,6H,5,7-9H2,1-2H3
InChIKeyHVTDCKQAHSSFEK-UHFFFAOYSA-N
XLogP1.75
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
CID 113330474
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
methyl 3-[3-chloro-2-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 115534536
methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
CID 80703580
N,N-dibutyl-3-chloropyridin-2-amine
CID 135025261
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
methyl 3-[4-carbamothioyl-3-chloro-N-(2-methoxyethyl)anilino]propanoate
CID 115534776
2-[(3-chloro-2-pyridinyl)-ethylamino]-N-ethylacetamide
CID 133382755
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 79078825
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate (CID 113331207) is methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)c1ncccc1Cl.
What is the InChIKey of methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is HVTDCKQAHSSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-9-8-15(7-5-11(16)18-2)12-10(13)4-3-6-14-12/h3-4,6H,5,7-9H2,1-2H3.
What are the key properties of methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 272.73 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 113331207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).