3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid

C12H15ClN2O2 — CID 169108974

IUPAC3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C12H15ClN2O2/c13-11-2-1-8(6-15-11)5-10(12(16)17)9-3-4-14-7-9/h1-2,6,9-10,14H,3-5,7H2,(H,16,17)/t9-,10?/m0/s1
InChIKeyVMKWWRYFJIWLDX-RGURZIINSA-N
MW254.72 g/mol
LogP1.59
Rot. Bonds4

About 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid

3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid (PubChem CID 169108974) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid
PubChem CID169108974
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)nc1)[C@H]1CCNC1
InChIInChI=1S/C12H15ClN2O2/c13-11-2-1-8(6-15-11)5-10(12(16)17)9-3-4-14-7-9/h1-2,6,9-10,14H,3-5,7H2,(H,16,17)/t9-,10?/m0/s1
InChIKeyVMKWWRYFJIWLDX-RGURZIINSA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid (CID 169108974) is 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid is O=C(O)C(Cc1ccc(Cl)nc1)[C@H]1CCNC1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
The InChIKey is VMKWWRYFJIWLDX-RGURZIINSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-2-1-8(6-15-11)5-10(12(16)17)9-3-4-14-7-9/h1-2,6,9-10,14H,3-5,7H2,(H,16,17)/t9-,10?/m0/s1.
What are the key properties of 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid?
3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid has a molecular weight of 254.72 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-2-[(3R)-pyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 169108974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).