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

C12H22N2O3 — CID 59611625

IUPAC2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid
SMILESCC(C)(C)N1CCC(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14-6-4-9(5-7-14)11(17)13-8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOMALLBLYOCAUCF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds3

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

2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid (PubChem CID 59611625) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid
PubChem CID59611625
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid
SMILESCC(C)(C)N1CCC(C(=O)NCC(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14-6-4-9(5-7-14)11(17)13-8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOMALLBLYOCAUCF-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-tert-butylpiperidine-4-carboxamide
CID 146256251
1-tert-butyl-N-[3-(tert-butylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 58055825
2-[[2-(4-carbamoylpiperidin-1-yl)-2-methylpropanoyl]amino]acetic acid
CID 39289932
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
1-[1-(1-tert-butylpiperidine-4-carbonyl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 170668413
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
tert-butyl 2-(cyclopentanecarbonylamino)acetate
CID 123696523

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid (CID 59611625) is 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid is CC(C)(C)N1CCC(C(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is OMALLBLYOCAUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)14-6-4-9(5-7-14)11(17)13-8-10(15)16/h9H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid?
2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 59611625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).