2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid

C13H24N2O3 — CID 83198222

IUPAC2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
SMILESCNC(=O)C(C)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-9(11(16)14-4)15-7-5-6-10(8-15)13(2,3)12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeySRVOANLTBXZHMQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.94
Rot. Bonds4

About 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid

2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid (PubChem CID 83198222) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
PubChem CID83198222
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
SMILESCNC(=O)C(C)N1CCCC(C(C)(C)C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-9(11(16)14-4)15-7-5-6-10(8-15)13(2,3)12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18)
InChIKeySRVOANLTBXZHMQ-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-cyanoethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197149
2-(1-but-3-en-2-ylpiperidin-3-yl)-2-methylpropanoic acid
CID 83198227
2-methyl-2-[1-(4-methylpentan-2-yl)piperidin-3-yl]propanoic acid
CID 83199298
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
2-[1-[1-(4-bromophenyl)ethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83199158
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 66291565
(2S)-N-carbamoyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 26598322
2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
CID 83198680
(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[3-(1-aminoethyl)piperidin-1-yl]-N-tert-butylpropanamide
CID 55258736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid (CID 83198222) is 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid is CNC(=O)C(C)N1CCCC(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid?
The InChIKey is SRVOANLTBXZHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(11(16)14-4)15-7-5-6-10(8-15)13(2,3)12(17)18/h9-10H,5-8H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid?
2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[1-(methylamino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 83198222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).