2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid

C13H24N2O3 — CID 83198731

IUPAC2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
SMILESCC(CNC(=O)C(C)(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(11(16)17)7-15-12(18)13(2,3)10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOANLQAOMXKJYLC-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.85
Rot. Bonds5

About 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid

2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid (PubChem CID 83198731) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
PubChem CID83198731
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
SMILESCC(CNC(=O)C(C)(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9(11(16)17)7-15-12(18)13(2,3)10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyOANLQAOMXKJYLC-UHFFFAOYSA-N
XLogP0.85
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
N-(2-cyanopropyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83198573
2-methyl-2-piperidin-3-yl-N-(2-piperidin-1-ylpropyl)propanamide
CID 83198343
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
2-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-2-piperidin-3-ylpropanamide
CID 115881590
2-[[(2-methyl-2-piperidin-3-ylpropanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83199902
(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
CID 107824520
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-cyclopropyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83198884
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031807
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid (CID 83198731) is 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid is CC(CNC(=O)C(C)(C)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
The InChIKey is OANLQAOMXKJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(11(16)17)7-15-12(18)13(2,3)10-5-4-6-14-8-10/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid?
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 83198731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).