2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid

C13H23N3O4 — CID 79256496

IUPAC2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)16(8-10(17)18)12(20)15-6-4-9(5-7-15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyFEVOWRAUWPFGDX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.49
Rot. Bonds3

About 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid

2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 79256496) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID79256496
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C13H23N3O4/c1-13(2,3)16(8-10(17)18)12(20)15-6-4-9(5-7-15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18)
InChIKeyFEVOWRAUWPFGDX-UHFFFAOYSA-N
XLogP0.49
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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)-tert-butylamino]acetic acid
CID 79266328
2-[(3-aminopiperidine-1-carbonyl)-tert-butylamino]acetic acid
CID 79257422
2-[tert-butyl-[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]acetic acid
CID 79257419
1-(2-bromo-2-methylpropanoyl)piperidine-4-carboxamide
CID 82109099
1-(3-amino-3-methylbutanoyl)piperidine-4-carboxamide
CID 64683539
3-[tert-butyl(pyrrolidine-1-carbonyl)amino]propanoic acid
CID 61186565
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
CID 107438598
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79256836
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 2826389
1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid (CID 79256496) is 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is FEVOWRAUWPFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)16(8-10(17)18)12(20)15-6-4-9(5-7-15)11(14)19/h9H,4-8H2,1-3H3,(H2,14,19)(H,17,18).
What are the key properties of 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid?
2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(4-carbamoylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 79256496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).