2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid

C13H26N2O2 — CID 60838965

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCC1CCCCN1C)CC(=O)O
InChIInChI=1S/C13H26N2O2/c1-11(2)15(10-13(16)17)9-7-12-6-4-5-8-14(12)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJTCKZVIOMDIULJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.66
Rot. Bonds6

About 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid

2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid (PubChem CID 60838965) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
PubChem CID60838965
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CCC1CCCCN1C)CC(=O)O
InChIInChI=1S/C13H26N2O2/c1-11(2)15(10-13(16)17)9-7-12-6-4-5-8-14(12)3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyJTCKZVIOMDIULJ-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 60834292
2-[2-methoxyethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]acetic acid
CID 54969053
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 163258007
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
2-[(1-acetylpyrrolidin-2-yl)methyl-propan-2-ylamino]acetic acid
CID 66565397
N-(2-bromoethyl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
CID 114015262
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]butanoic acid
CID 107913268
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
CID 24988040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid (CID 60838965) is 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid is CC(C)N(CCC1CCCCN1C)CC(=O)O.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid?
The InChIKey is JTCKZVIOMDIULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)15(10-13(16)17)9-7-12-6-4-5-8-14(12)3/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid?
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).