3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid

C12H16N2O3 — CID 110836400

IUPAC3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)CC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-13-10(6-8)12(17)14(3)9(2)7-11(15)16/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyCEALXNGSHMIJQR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.33
Rot. Bonds4

About 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid

3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 110836400) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID110836400
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1ccnc(C(=O)N(C)C(C)CC(=O)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-13-10(6-8)12(17)14(3)9(2)7-11(15)16/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyCEALXNGSHMIJQR-UHFFFAOYSA-N
XLogP1.33
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
3-methyl-3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid
CID 110836401
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
CID 110836392
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
N,N,4-trimethylpyridine-2-carboxamide;N,N,5-trimethylpyridine-2-carboxamide
CID 160549181
3-[(4-methyl-2-pyridinyl)sulfanyl]butanoic acid
CID 66113690
4-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-2-carboxamide
CID 62169428
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 121496087
3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
CID 110836290
2-bromo-1-(4-methyl-2-pyridinyl)propan-1-one
CID 71428246
(2S)-2-chloro-1-(4-methyl-2-pyridinyl)propan-1-one
CID 93494177

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid (CID 110836400) is 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid is Cc1ccnc(C(=O)N(C)C(C)CC(=O)O)c1.
What is the InChIKey of 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is CEALXNGSHMIJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-13-10(6-8)12(17)14(3)9(2)7-11(15)16/h4-6,9H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid?
3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).