2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid

C14H24N2O4 — CID 79266328

IUPAC2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-10(17)15-7-5-11(6-8-15)13(20)16(9-12(18)19)14(2,3)4/h11H,5-9H2,1-4H3,(H,18,19)
InChIKeyNKEFLWPGALRLRG-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.96
Rot. Bonds3

About 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid

2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid (PubChem CID 79266328) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
PubChem CID79266328
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CC(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O4/c1-10(17)15-7-5-11(6-8-15)13(20)16(9-12(18)19)14(2,3)4/h11H,5-9H2,1-4H3,(H,18,19)
InChIKeyNKEFLWPGALRLRG-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-acetylpiperidine-3-carbonyl)-tert-butylamino]acetic acid
CID 79265924
2-[tert-butyl(piperidine-4-carbonyl)amino]acetic acid
CID 79269576
2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265267
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 79256496
2-[tert-butyl(thiolane-3-carbonyl)amino]acetic acid
CID 79266759
2-[azocane-1-carbonyl(tert-butyl)amino]acetic acid
CID 79256503
2-[tert-butyl-(4-propan-2-ylpiperidine-1-carbonyl)amino]acetic acid
CID 103500285
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
3-[(1-acetylpiperidine-4-carbonyl)-ethylamino]butanoic acid
CID 62821049
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid (CID 79266328) is 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid is CC(=O)N1CCC(C(=O)N(CC(=O)O)C(C)(C)C)CC1.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid?
The InChIKey is NKEFLWPGALRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(17)15-7-5-11(6-8-15)13(20)16(9-12(18)19)14(2,3)4/h11H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid?
2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid is sourced from PubChem (CID 79266328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).