methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate

C14H17ClN2O5 — CID 88725246

IUPACmethyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate
SMILESCOC(=O)CCN(c1cc(Cl)ncc1OC(=O)OC)C1CC1
InChIInChI=1S/C14H17ClN2O5/c1-20-13(18)5-6-17(9-3-4-9)10-7-12(15)16-8-11(10)22-14(19)21-2/h7-9H,3-6H2,1-2H3
InChIKeyAZPYGQQAPMNYAY-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.41
Rot. Bonds6

About methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate

methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate (PubChem CID 88725246) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate
PubChem CID88725246
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Namemethyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate
SMILESCOC(=O)CCN(c1cc(Cl)ncc1OC(=O)OC)C1CC1
InChIInChI=1S/C14H17ClN2O5/c1-20-13(18)5-6-17(9-3-4-9)10-7-12(15)16-8-11(10)22-14(19)21-2/h7-9H,3-6H2,1-2H3
InChIKeyAZPYGQQAPMNYAY-UHFFFAOYSA-N
XLogP2.41
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate?
The IUPAC name of methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate (CID 88725246) is methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate?
The canonical SMILES for methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate is COC(=O)CCN(c1cc(Cl)ncc1OC(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate?
The InChIKey is AZPYGQQAPMNYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5/c1-20-13(18)5-6-17(9-3-4-9)10-7-12(15)16-8-11(10)22-14(19)21-2/h7-9H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate?
methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate has a molecular weight of 328.75 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-5-methoxycarbonyloxy-4-pyridinyl)-cyclopropylamino]propanoate is sourced from PubChem (CID 88725246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).