methyl 3-(5-amino-3-pyridinyl)propanoate

C9H12N2O2 — CID 75458087

IUPACmethyl 3-(5-amino-3-pyridinyl)propanoate
SMILESCOC(=O)CCc1cncc(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)3-2-7-4-8(10)6-11-5-7/h4-6H,2-3,10H2,1H3
InChIKeyUDPLDRCFEGXMAT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.77
Rot. Bonds3

About methyl 3-(5-amino-3-pyridinyl)propanoate

methyl 3-(5-amino-3-pyridinyl)propanoate (PubChem CID 75458087) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl 3-(5-amino-3-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-3-pyridinyl)propanoate
PubChem CID75458087
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl 3-(5-amino-3-pyridinyl)propanoate
SMILESCOC(=O)CCc1cncc(N)c1
InChIInChI=1S/C9H12N2O2/c1-13-9(12)3-2-7-4-8(10)6-11-5-7/h4-6H,2-3,10H2,1H3
InChIKeyUDPLDRCFEGXMAT-UHFFFAOYSA-N
XLogP0.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-3-pyridinyl)propanoate?
The IUPAC name of methyl 3-(5-amino-3-pyridinyl)propanoate (CID 75458087) is methyl 3-(5-amino-3-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-(5-amino-3-pyridinyl)propanoate?
The canonical SMILES for methyl 3-(5-amino-3-pyridinyl)propanoate is COC(=O)CCc1cncc(N)c1.
What is the InChIKey of methyl 3-(5-amino-3-pyridinyl)propanoate?
The InChIKey is UDPLDRCFEGXMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-9(12)3-2-7-4-8(10)6-11-5-7/h4-6H,2-3,10H2,1H3.
What are the key properties of methyl 3-(5-amino-3-pyridinyl)propanoate?
methyl 3-(5-amino-3-pyridinyl)propanoate has a molecular weight of 180.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-3-pyridinyl)propanoate is sourced from PubChem (CID 75458087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).