3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid

C14H26N2O3 — CID 65224381

IUPAC3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)CCC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)12(14(18)19)9-16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLJNKFRCWZQOGJA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.24
Rot. Bonds7

About 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid

3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid (PubChem CID 65224381) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
PubChem CID65224381
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid
SMILESCC(C)C(CNC(=O)CCC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)12(14(18)19)9-16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLJNKFRCWZQOGJA-UHFFFAOYSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 80539959
5-methyl-3-[(3-piperidin-4-ylpropanoylamino)methyl]hexanoic acid
CID 65493929
3-methyl-2-[[(2-piperidin-4-yloxyacetyl)amino]methyl]butanoic acid
CID 65224385
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
(2S)-2-(ethylsulfonylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid
CID 57305521
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
(2S)-2-(pentanoylamino)-3-[3-(3-piperidin-4-ylpropanoylamino)propanoylamino]propanoic acid
CID 15463670
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
N-ethyl-2-(3-piperidin-4-ylpropanoylamino)propanamide
CID 55049239

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid (CID 65224381) is 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid is CC(C)C(CNC(=O)CCC1CCNCC1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid?
The InChIKey is LJNKFRCWZQOGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(14(18)19)9-16-13(17)4-3-11-5-7-15-8-6-11/h10-12,15H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid?
3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-piperidin-4-ylpropanoylamino)methyl]butanoic acid is sourced from PubChem (CID 65224381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).