(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid

C11H13BrN2O3 — CID 28979295

IUPAC(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-8(12)5-13-4-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyHXSFJTYXPQEVIB-SECBINFHSA-N
MW301.14 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 28979295) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID28979295
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O
InChIInChI=1S/C11H13BrN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-8(12)5-13-4-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyHXSFJTYXPQEVIB-SECBINFHSA-N
XLogP1.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353006
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
5-bromo-N-(1-methylsulfanylpropan-2-yl)pyridine-3-carboxamide
CID 115636073
5-bromo-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyridine-3-carboxamide
CID 113407759
5-bromo-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 60628143
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 28979295) is (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is HXSFJTYXPQEVIB-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6(2)9(11(16)17)14-10(15)7-3-8(12)5-13-4-7/h3-6,9H,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 301.14 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 28979295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).