2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid

C12H24N2O2 — CID 175065777

IUPAC2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
SMILESCN1C(C)(C)CC(C(N)C(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)6-8(9(13)10(15)16)7-12(3,4)14(11)5/h8-9H,6-7,13H2,1-5H3,(H,15,16)
InChIKeyUNBJOTPSFGWVAS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.30
Rot. Bonds2

About 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid

2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid (PubChem CID 175065777) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
PubChem CID175065777
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
SMILESCN1C(C)(C)CC(C(N)C(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)6-8(9(13)10(15)16)7-12(3,4)14(11)5/h8-9H,6-7,13H2,1-5H3,(H,15,16)
InChIKeyUNBJOTPSFGWVAS-UHFFFAOYSA-N
XLogP1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid (CID 175065777) is 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid is CN1C(C)(C)CC(C(N)C(=O)O)CC1(C)C.
What is the InChIKey of 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid?
The InChIKey is UNBJOTPSFGWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)6-8(9(13)10(15)16)7-12(3,4)14(11)5/h8-9H,6-7,13H2,1-5H3,(H,15,16).
What are the key properties of 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid?
2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 175065777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).