(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid

C9H9ClN2O3 — CID 78972837

IUPAC(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)7-4-6(10)2-3-11-7/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1
InChIKeyPNFKLADNAGDJQU-RXMQYKEDSA-N
MW228.63 g/mol
LogP0.94
Rot. Bonds3

About (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid

(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid (PubChem CID 78972837) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid
PubChem CID78972837
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)O
InChIInChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)7-4-6(10)2-3-11-7/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1
InChIKeyPNFKLADNAGDJQU-RXMQYKEDSA-N
XLogP0.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid (CID 78972837) is (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid is C[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is PNFKLADNAGDJQU-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c1-5(9(14)15)12-8(13)7-4-6(10)2-3-11-7/h2-5H,1H3,(H,12,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid?
(2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 228.63 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chloropyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78972837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).