3-[(5-chloro-2-pyridinyl)amino]propanoic acid

C8H9ClN2O2 — CID 1084926

IUPAC3-[(5-chloro-2-pyridinyl)amino]propanoic acid
SMILESO=C(O)CCNc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-2-7(11-5-6)10-4-3-8(12)13/h1-2,5H,3-4H2,(H,10,11)(H,12,13)
InChIKeyNRPAHEVMQSRBRL-UHFFFAOYSA-N
MW200.63 g/mol
LogP1.62
Rot. Bonds4

About 3-[(5-chloro-2-pyridinyl)amino]propanoic acid

3-[(5-chloro-2-pyridinyl)amino]propanoic acid (PubChem CID 1084926) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-[(5-chloro-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-pyridinyl)amino]propanoic acid
PubChem CID1084926
Molecular FormulaC8H9ClN2O2
Molecular Weight200.63 g/mol
Exact Mass200.04
IUPAC Name3-[(5-chloro-2-pyridinyl)amino]propanoic acid
SMILESO=C(O)CCNc1ccc(Cl)cn1
InChIInChI=1S/C8H9ClN2O2/c9-6-1-2-7(11-5-6)10-4-3-8(12)13/h1-2,5H,3-4H2,(H,10,11)(H,12,13)
InChIKeyNRPAHEVMQSRBRL-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[(5-chloro-2-pyridinyl)amino]propanoic acid (CID 1084926) is 3-[(5-chloro-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-chloro-2-pyridinyl)amino]propanoic acid is O=C(O)CCNc1ccc(Cl)cn1.
What is the InChIKey of 3-[(5-chloro-2-pyridinyl)amino]propanoic acid?
The InChIKey is NRPAHEVMQSRBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c9-6-1-2-7(11-5-6)10-4-3-8(12)13/h1-2,5H,3-4H2,(H,10,11)(H,12,13).
What are the key properties of 3-[(5-chloro-2-pyridinyl)amino]propanoic acid?
3-[(5-chloro-2-pyridinyl)amino]propanoic acid has a molecular weight of 200.63 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 1084926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).