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

C12H24N2O2 — CID 65063962

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

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

2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65063962) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID65063962
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)8-14(9-12(15)16)11-4-6-13(3)7-5-11/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyUFNUKOKOYOYIOL-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65063911
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]ethanol
CID 111105365
2-[(3-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064148
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210
2-[(4-tert-butylcycloheptyl)-(2-methylpropyl)amino]acetic acid
CID 65094431
3-[carboxymethyl(cyclopropyl)amino]-2-methylpropanoic acid
CID 82327511
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 60833387
2-[butan-2-yl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65062596
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[2-methylpropyl-(1-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63072028
2-ethylsulfonyl-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide
CID 86828647

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid (CID 65063962) is 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C1CCN(C)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is UFNUKOKOYOYIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)8-14(9-12(15)16)11-4-6-13(3)7-5-11/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid?
2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65063962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).