4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid

C12H22N2O4 — CID 175561216

IUPAC4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CC(N)CCN1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-10(15)7-9-6-8(13)4-5-14(9)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyFJLLPFWMNLBKJB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.19
Rot. Bonds2

About 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid

4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid (PubChem CID 175561216) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
PubChem CID175561216
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)CC1CC(N)CCN1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-10(15)7-9-6-8(13)4-5-14(9)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17)
InChIKeyFJLLPFWMNLBKJB-UHFFFAOYSA-N
XLogP1.19
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
tert-butyl 4-amino-2-butylpiperidine-1-carboxylate
CID 175292956
tert-butyl (2R,4S)-4-amino-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 124662507
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662
tert-butyl 4-amino-2-cyclopropylpiperidine-1-carboxylate
CID 84800567
2-aminocyclopropan-1-one;tert-butyl 2-(1,2-dimethylpiperidin-4-yl)acetate
CID 70066827
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
tert-butyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate
CID 160524581
2-[2-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
CID 146329554
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996
tert-butyl (2R)-2-aminoazetidine-1-carboxylate
CID 25417768

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid (CID 175561216) is 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid is CC(C)(C)OC(=O)CC1CC(N)CCN1C(=O)O.
What is the InChIKey of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid?
The InChIKey is FJLLPFWMNLBKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-10(15)7-9-6-8(13)4-5-14(9)11(16)17/h8-9H,4-7,13H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid?
4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175561216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).