4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid

C15H28N2O3 — CID 52983770

IUPAC4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCN1CCCC(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)9-13(15(19)20)16-14(18)6-8-17-7-4-5-12(3)10-17/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyQEGFXEDSNRJBLJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.72
Rot. Bonds7

About 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid

4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid (PubChem CID 52983770) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
PubChem CID52983770
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid
SMILESCC(C)CC(NC(=O)CCN1CCCC(C)C1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(2)9-13(15(19)20)16-14(18)6-8-17-7-4-5-12(3)10-17/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyQEGFXEDSNRJBLJ-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanoylamino]-4-methylpentanoic acid
CID 119188476
2-[[2-(azepan-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 82042989
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 125440543
2-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-4-methylpentanoic acid
CID 43170163
N-[2-(dimethylamino)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109016229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid (CID 52983770) is 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid is CC(C)CC(NC(=O)CCN1CCCC(C)C1)C(=O)O.
What is the InChIKey of 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid?
The InChIKey is QEGFXEDSNRJBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)9-13(15(19)20)16-14(18)6-8-17-7-4-5-12(3)10-17/h11-13H,4-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid?
4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(3-methylpiperidin-1-yl)propanoylamino]pentanoic acid is sourced from PubChem (CID 52983770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).