2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid

C12H24N2O2 — CID 64725193

IUPAC2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
SMILESCC1CCCN(C(C)CC(C)(N)C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-4-6-14(8-9)10(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVYQGCURWGXHTIV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid

2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid (PubChem CID 64725193) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
PubChem CID64725193
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
SMILESCC1CCCN(C(C)CC(C)(N)C(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-4-6-14(8-9)10(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVYQGCURWGXHTIV-UHFFFAOYSA-N
XLogP1.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid (CID 64725193) is 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid is CC1CCCN(C(C)CC(C)(N)C(=O)O)C1.
What is the InChIKey of 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid?
The InChIKey is VYQGCURWGXHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-4-6-14(8-9)10(2)7-12(3,13)11(15)16/h9-10H,4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid?
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 64725193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).