2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid

C12H22N2O3 — CID 61010694

IUPAC2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCC(C)(C)NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-11(17)14-7-5-4-6-9(14)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFYCRQYQAULNZPY-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.82
Rot. Bonds2

About 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 61010694) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID61010694
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
SMILESCC(C)(C)NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)13-11(17)14-7-5-4-6-9(14)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFYCRQYQAULNZPY-UHFFFAOYSA-N
XLogP1.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]piperidin-2-yl]acetic acid
CID 115356753
2-[1-(2-cyclopropylpropan-2-ylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 114111582
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
2-[1-(2-cyclohexylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61206283
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
2-[1-(butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010692
2-[1-[(1-methylcyclopropyl)methylcarbamoyl]piperidin-2-yl]acetic acid
CID 114101416
2-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61267134
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[1-(3-cyclopentylpropylcarbamoyl)piperidin-2-yl]acetic acid
CID 106005378
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[1-[(2-methyloxolan-3-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 82728335

Frequently Asked Questions

What is the IUPAC name of 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid (CID 61010694) is 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid is CC(C)(C)NC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is FYCRQYQAULNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)13-11(17)14-7-5-4-6-9(14)8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).