2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid

C14H28N2O2 — CID 115219676

IUPAC2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
SMILESCC(CNCC(C)(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-11(13(17)18)9-15-10-14(2,3)12-5-7-16(4)8-6-12/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyIBFSMUDNRLNINS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid

2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid (PubChem CID 115219676) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
PubChem CID115219676
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid
SMILESCC(CNCC(C)(C)C1CCN(C)CC1)C(=O)O
InChIInChI=1S/C14H28N2O2/c1-11(13(17)18)9-15-10-14(2,3)12-5-7-16(4)8-6-12/h11-12,15H,5-10H2,1-4H3,(H,17,18)
InChIKeyIBFSMUDNRLNINS-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
2,2-dimethyl-N'-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]propane-1,3-diamine
CID 115200323
2-chloro-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115162294
1-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]pentane-1,4-diamine
CID 115204173
4-amino-2-methyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115156200
2,2-dimethyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanenitrile
CID 115234404
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]acetamide
CID 115191509
3-(2,2-dimethylbutylamino)-2-methylpropanoic acid
CID 103461240
2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 115256154
2-cyano-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]acetamide
CID 115173463
3-[(2-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 65111531
3-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]butanoic acid
CID 115250232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid (CID 115219676) is 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid is CC(CNCC(C)(C)C1CCN(C)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid?
The InChIKey is IBFSMUDNRLNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(13(17)18)9-15-10-14(2,3)12-5-7-16(4)8-6-12/h11-12,15H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid?
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid has a molecular weight of 256.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-methyl-2-(1-methylpiperidin-4-yl)propyl]amino]propanoic acid is sourced from PubChem (CID 115219676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).