2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid

C10H20N2O2 — CID 62932657

IUPAC2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CCN(CC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2)3-5-12(6-4-10)7-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyLSNDJKPMEGURNG-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.52
Rot. Bonds3

About 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid

2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid (PubChem CID 62932657) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
PubChem CID62932657
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1(C)CCN(CC(N)C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(2)3-5-12(6-4-10)7-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyLSNDJKPMEGURNG-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
CID 164653376
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
CID 138475703
2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
CID 65442051
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
methyl 2-(cyclopropylamino)-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 55155554
3-(4,4-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872983
1-(4,4-dimethylpiperidin-1-yl)-3-methylpentan-2-amine
CID 62932695

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid (CID 62932657) is 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid is CC1(C)CCN(CC(N)C(=O)O)CC1.
What is the InChIKey of 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid?
The InChIKey is LSNDJKPMEGURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)3-5-12(6-4-10)7-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid?
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 62932657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).