2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

C16H30N2O4 — CID 59385224

IUPAC2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-15(2,3)17-12(13(19)20)11-8-7-9-18(10-11)14(21)22-16(4,5)6/h11-12,17H,7-10H2,1-6H3,(H,19,20)
InChIKeyYOINOOGTNZZKTM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds3

About 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid

2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (PubChem CID 59385224) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
PubChem CID59385224
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SMILESCC(C)(C)NC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-15(2,3)17-12(13(19)20)11-8-7-9-18(10-11)14(21)22-16(4,5)6/h11-12,17H,7-10H2,1-6H3,(H,19,20)
InChIKeyYOINOOGTNZZKTM-UHFFFAOYSA-N
XLogP2.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid (CID 59385224) is 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is CC(C)(C)NC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
The InChIKey is YOINOOGTNZZKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-15(2,3)17-12(13(19)20)11-8-7-9-18(10-11)14(21)22-16(4,5)6/h11-12,17H,7-10H2,1-6H3,(H,19,20).
What are the key properties of 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid?
2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid has a molecular weight of 314.43 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 59385224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).