2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid

C12H22N2O3 — CID 113307689

IUPAC2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
SMILESCC(C)(CN)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,8-13)11(17)14-5-3-9(4-6-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyLYXPTCNEVJHIDX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.68
Rot. Bonds4

About 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid

2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid (PubChem CID 113307689) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
PubChem CID113307689
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid
SMILESCC(C)(CN)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,8-13)11(17)14-5-3-9(4-6-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyLYXPTCNEVJHIDX-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Acetylpiperidin-4-yl)acetic acid
CID 10442408
1-(2,2-Dimethylpropanoyl)piperidine-3-carboxylic acid
CID 16228559
5-(4-Methyl-piperidin-1-yl)-5-oxo-pentanoic acid
CID 752697
(3S,4R)-4-acetamidopiperidine-3-carboxylic acid
CID 44270774
1-(2-Methylbutanoyl)piperidine-3-carboxylic acid
CID 16794986
1-Butanoylpiperidine-3-carboxylic acid
CID 20118758
3-Methyl-5-oxo-5-piperidin-1-ylpentanoic acid
CID 3885713
5-[3-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]pentanoic acid
CID 120303551
2-[1-[3-Oxo-3-(2,2,2-trifluoroethylamino)propanoyl]piperidin-4-yl]acetic acid
CID 120515456
3-methyl-4-[N-(2-piperidylethyl)carbamoyl]butanoic acid
CID 2971159
5-[3-(Diethylcarbamoyl)piperidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 132466223
(3R)-3-methyl-5-oxo-5-piperidin-1-ylpentanoic acid
CID 7324325

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid (CID 113307689) is 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid is CC(C)(CN)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid?
The InChIKey is LYXPTCNEVJHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,8-13)11(17)14-5-3-9(4-6-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid?
2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 113307689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).