(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid

C11H12Cl2N2O3 — CID 114036881

IUPAC(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O3/c1-5(2)9(11(17)18)15-10(16)6-3-8(13)14-4-7(6)12/h3-5,9H,1-2H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyDMMLFBZAHUOVRX-SECBINFHSA-N
MW291.13 g/mol
LogP2.23
Rot. Bonds4

About (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 114036881) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID114036881
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O
InChIInChI=1S/C11H12Cl2N2O3/c1-5(2)9(11(17)18)15-10(16)6-3-8(13)14-4-7(6)12/h3-5,9H,1-2H3,(H,15,16)(H,17,18)/t9-/m1/s1
InChIKeyDMMLFBZAHUOVRX-SECBINFHSA-N
XLogP2.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.23
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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Related Compounds

(2S,3R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 114037237
2-[(2-chloro-4,5-dimethylbenzoyl)amino]-3-methylbutanoic acid
CID 120513273
(2S)-2-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid
CID 107371470
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
(2S)-2-[(2,4-dichloro-5-methylsulfanylbenzoyl)amino]-3-methylbutanoic acid
CID 119360130
2,5-dichloro-N-(1-methylsulfinylpropan-2-yl)pyridine-4-carboxamide
CID 114918896
2,5-dichloro-N-pent-4-en-2-ylpyridine-4-carboxamide
CID 114918873
2,5-dichloro-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 114917789
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
2,5-dichloro-N-[1-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 114918156
(2R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 106860616
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid (CID 114036881) is (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1cc(Cl)ncc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is DMMLFBZAHUOVRX-SECBINFHSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c1-5(2)9(11(17)18)15-10(16)6-3-8(13)14-4-7(6)12/h3-5,9H,1-2H3,(H,15,16)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 291.13 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,5-dichloropyridine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 114036881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).