2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid

C12H22N2O2 — CID 83996220

IUPAC2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CC(CC(=O)O)CC(NCC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-14-7-10(5-12(15)16)4-11(8-14)13-6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyDWWSKSLJDKQUED-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.78
Rot. Bonds5

About 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid

2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid (PubChem CID 83996220) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
PubChem CID83996220
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
SMILESCN1CC(CC(=O)O)CC(NCC2CC2)C1
InChIInChI=1S/C12H22N2O2/c1-14-7-10(5-12(15)16)4-11(8-14)13-6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16)
InChIKeyDWWSKSLJDKQUED-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
2-[5-(cyclopentylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]acetic acid
CID 83998054
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid (CID 83996220) is 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid is CN1CC(CC(=O)O)CC(NCC2CC2)C1.
What is the InChIKey of 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid?
The InChIKey is DWWSKSLJDKQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14-7-10(5-12(15)16)4-11(8-14)13-6-9-2-3-9/h9-11,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid?
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 83996220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).