3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid

C15H22N2O3 — CID 82321156

IUPAC3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCCC(CC)C(=O)N(CCC(=O)O)c1cc(C)ccn1
InChIInChI=1S/C15H22N2O3/c1-4-12(5-2)15(20)17(9-7-14(18)19)13-10-11(3)6-8-16-13/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,18,19)
InChIKeyMOUAHRGNAONVSV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds7

About 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid

3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid (PubChem CID 82321156) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
PubChem CID82321156
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
SMILESCCC(CC)C(=O)N(CCC(=O)O)c1cc(C)ccn1
InChIInChI=1S/C15H22N2O3/c1-4-12(5-2)15(20)17(9-7-14(18)19)13-10-11(3)6-8-16-13/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,18,19)
InChIKeyMOUAHRGNAONVSV-UHFFFAOYSA-N
XLogP2.63
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319483
3-[N-(2-ethylbutanoyl)-2-methylanilino]propanoic acid
CID 28764123
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321055
2-ethyl-N-(4-methyl-2-pyridinyl)butanamide
CID 849589
methyl (2S,3S)-3-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]butanoylamino]pentanoate
CID 142583385
3-[N-(2-aminobutanoyl)-4-methylanilino]propanoic acid
CID 61162035
methyl 2-[ethyl-(4-methyl-2-pyridinyl)amino]acetate
CID 62005209
3-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl-(4-methyl-2-pyridinyl)amino]butanoylamino]propanoic acid
CID 142583155
N,N-diethyl-4-methylpyridin-2-amine
CID 14197874
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 121496087
N-formyl-N-(4-methyl-2-pyridinyl)propanamide
CID 175611443

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid (CID 82321156) is 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid is CCC(CC)C(=O)N(CCC(=O)O)c1cc(C)ccn1.
What is the InChIKey of 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
The InChIKey is MOUAHRGNAONVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12(5-2)15(20)17(9-7-14(18)19)13-10-11(3)6-8-16-13/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid?
3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethylbutanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 82321156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).