2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid

C11H22N2O2 — CID 83989664

IUPAC2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)13-6-9(5-11(14)15)4-10(7-13)12-3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyMZSWZGZDWYACIM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.78
Rot. Bonds4

About 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid

2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid (PubChem CID 83989664) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
PubChem CID83989664
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCNC1CC(CC(=O)O)CN(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)13-6-9(5-11(14)15)4-10(7-13)12-3/h8-10,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyMZSWZGZDWYACIM-UHFFFAOYSA-N
XLogP0.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[5-(methylamino)-1-propan-2-ylpiperidin-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

3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83989667
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
CID 129237445
3-[5-(2,2-difluoroethylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83992910
2-methyl-N-(1-propan-2-yl-5-propylpiperidin-3-yl)propanamide
CID 112542636
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
N-[5-(3-hydroxypropyl)-1-propan-2-ylpiperidin-3-yl]acetamide
CID 112541751

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid (CID 83989664) is 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid is CNC1CC(CC(=O)O)CN(C(C)C)C1.
What is the InChIKey of 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The InChIKey is MZSWZGZDWYACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13-6-9(5-11(14)15)4-10(7-13)12-3/h8-10,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid?
2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 83989664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).