2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid

C11H20N2O2 — CID 114438010

IUPAC2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
SMILESCC1(C)C=C(C(N)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C11H20N2O2/c1-10(2)5-7(8(12)9(14)15)6-11(3,4)13-10/h5,8,13H,6,12H2,1-4H3,(H,14,15)
InChIKeyPBQLCKXNAGPPIH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid

2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid (PubChem CID 114438010) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
PubChem CID114438010
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
SMILESCC1(C)C=C(C(N)C(=O)O)CC(C)(C)N1
InChIInChI=1S/C11H20N2O2/c1-10(2)5-7(8(12)9(14)15)6-11(3,4)13-10/h5,8,13H,6,12H2,1-4H3,(H,14,15)
InChIKeyPBQLCKXNAGPPIH-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydro-pyridin-4-yl)-acetic acid
CID 712424
2-(2,2,6,6-Tetramethyl-1,3-dihydropyridin-1-ium-4-yl)acetate
CID 6925690
2,5-Diamino-7-methyloct-6-enoic acid
CID 118391000
1,2-Dimethyl-4-(methylamino)cyclohex-2-ene-1-carboxylic acid
CID 12465856
1-Methyl-4-(methylamino)cyclohex-2-ene-1-carboxylic acid
CID 12465859
CID 21860727
CID 21860727
Cyano(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)acetic acid
CID 54792426
2-(2,2,6,6-Tetramethyl-1,3-dihydropyridin-4-yl)acetic acid;hydrochloride
CID 90485459
(2S)-2-cyano-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
CID 95874234
(2R)-2-cyano-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid
CID 95874235
3-(2-Amino-2-carboxyethyl)-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy
CID 129674335
2-Amino-3-(2,2,5,5-tetramethyl-1-oxopyrrol-1-ium-3-yl)propanoic acid
CID 171382596

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid (CID 114438010) is 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid is CC1(C)C=C(C(N)C(=O)O)CC(C)(C)N1.
What is the InChIKey of 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
The InChIKey is PBQLCKXNAGPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-10(2)5-7(8(12)9(14)15)6-11(3,4)13-10/h5,8,13H,6,12H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid?
2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)acetic acid is sourced from PubChem (CID 114438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).