2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

C13H24N2O4 — CID 79256836

IUPAC2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCCC1CO
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-7-5-4-6-10(14)9-16/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyREGHTNRBFUNZGU-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.14
Rot. Bonds3

About 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid

2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 79256836) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID79256836
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCCCC1CO
InChIInChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-7-5-4-6-10(14)9-16/h10,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyREGHTNRBFUNZGU-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63065796
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61407553
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]-prop-2-ynylamino]acetic acid
CID 79284254
2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
CID 102783156
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
3-[2-(hydroxymethyl)piperidin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897379
5-[2-(hydroxymethyl)azepan-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 116634322
3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61206908
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 68920514
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
4-[2-(hydroxymethyl)azepan-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 104891488

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid (CID 79256836) is 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N1CCCCC1CO.
What is the InChIKey of 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is REGHTNRBFUNZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)15(8-11(17)18)12(19)14-7-5-4-6-10(14)9-16/h10,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid?
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 272.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 79256836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).