2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid

C11H22N2O2 — CID 83982898

IUPAC2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
SMILESCCCN1CCCC(C(NC)C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-6-13-7-4-5-9(8-13)10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyNFMUQVUAUFPUMY-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds5

About 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid

2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid (PubChem CID 83982898) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
PubChem CID83982898
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid
SMILESCCCN1CCCC(C(NC)C(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-3-6-13-7-4-5-9(8-13)10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyNFMUQVUAUFPUMY-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
2-(methylamino)-2-[1-[(4-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982729
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2-(methylamino)acetic acid
CID 83982815
(1R)-1-[(3R)-1-propylpiperidin-3-yl]ethanol
CID 51697339
[(3S)-1-propylpiperidin-3-yl]carbamic acid
CID 118936390
N,2,2-trimethyl-3-[1-(1-propylpiperidin-3-yl)ethylamino]propanamide
CID 106275512
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
2-(1-ethylpiperidin-3-yl)-2-fluoroacetic acid
CID 105443609
5-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]hexan-1-amine
CID 115325204
3-(1-nonylpiperidin-3-yl)butanoic acid
CID 81047349
3-[[1-(1-propylpiperidin-3-yl)ethylamino]methyl]pentan-3-ol
CID 65105569
N-ethoxy-1-(1-propylpiperidin-3-yl)ethanamine
CID 82710396

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid (CID 83982898) is 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid is CCCN1CCCC(C(NC)C(=O)O)C1.
What is the InChIKey of 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid?
The InChIKey is NFMUQVUAUFPUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-13-7-4-5-9(8-13)10(12-2)11(14)15/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid?
2-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid has a molecular weight of 214.31 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-(methylamino)-2-(1-propylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 83982898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).