2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid

C9H11ClN2O2 — CID 130039616

IUPAC2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-9(11,8(13)14)5-6-3-2-4-12-7(6)10/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyFTYLYHIUBDPRGH-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid

2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid (PubChem CID 130039616) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
PubChem CID130039616
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
SMILESCC(N)(Cc1cccnc1Cl)C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-9(11,8(13)14)5-6-3-2-4-12-7(6)10/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyFTYLYHIUBDPRGH-UHFFFAOYSA-N
XLogP1.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid (CID 130039616) is 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid is CC(N)(Cc1cccnc1Cl)C(=O)O.
What is the InChIKey of 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
The InChIKey is FTYLYHIUBDPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-9(11,8(13)14)5-6-3-2-4-12-7(6)10/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid?
2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid has a molecular weight of 214.65 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 130039616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).