3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid

C10H13ClN2O3 — CID 84704631

IUPAC3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid
SMILESCOc1c(Cl)cnc(C(N)CC(=O)O)c1C
InChIInChI=1S/C10H13ClN2O3/c1-5-9(7(12)3-8(14)15)13-4-6(11)10(5)16-2/h4,7H,3,12H2,1-2H3,(H,14,15)
InChIKeyGDPGUEMXLPOESH-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.53
Rot. Bonds4

About 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid

3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid (PubChem CID 84704631) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid
PubChem CID84704631
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid
SMILESCOc1c(Cl)cnc(C(N)CC(=O)O)c1C
InChIInChI=1S/C10H13ClN2O3/c1-5-9(7(12)3-8(14)15)13-4-6(11)10(5)16-2/h4,7H,3,12H2,1-2H3,(H,14,15)
InChIKeyGDPGUEMXLPOESH-UHFFFAOYSA-N
XLogP1.53
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid (CID 84704631) is 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid is COc1c(Cl)cnc(C(N)CC(=O)O)c1C.
What is the InChIKey of 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is GDPGUEMXLPOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-5-9(7(12)3-8(14)15)13-4-6(11)10(5)16-2/h4,7H,3,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid?
3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid has a molecular weight of 244.68 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-chloro-4-methoxy-3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 84704631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).