2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid

C12H24N2O2 — CID 65062596

IUPAC2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14(9-12(15)16)11-5-7-13(3)8-6-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyIXMQLOBVGRPXIZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds5

About 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid

2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid (PubChem CID 65062596) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
PubChem CID65062596
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-4-10(2)14(9-12(15)16)11-5-7-13(3)8-6-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyIXMQLOBVGRPXIZ-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[4-(2-methylbutan-2-yl)cyclohexyl]amino]acetic acid
CID 65057438
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
CID 65063962
2-[butan-2-yl(2,3-dihydro-1H-inden-2-yl)amino]acetic acid
CID 65057984
2-[cyclopentyl(4-methylpentan-2-yl)amino]acetic acid
CID 65058452
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
2-[cyclopentyl(3-methylpentan-2-yl)amino]acetic acid
CID 65058642
2-[cyclopentyl(2-methylpentan-3-yl)amino]acetic acid
CID 65058785
2-[butan-2-yl-(2-propan-2-yloxan-4-yl)amino]acetic acid
CID 65058078
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
2-[butan-2-yl-(2-hydroxycyclopentyl)amino]acetic acid
CID 60884187
2-[cyclopropyl(5-methylheptan-3-yl)amino]acetic acid
CID 65057817
2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid (CID 65062596) is 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid?
The InChIKey is IXMQLOBVGRPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-10(2)14(9-12(15)16)11-5-7-13(3)8-6-11/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid?
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 65062596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).