2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid

C12H22N2O3 — CID 62331670

IUPAC2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C12H22N2O3/c1-4-13(8-11(15)16)12(17)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyNTFIXYCATVWZMK-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.63
Rot. Bonds3

About 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid

2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid (PubChem CID 62331670) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
PubChem CID62331670
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C12H22N2O3/c1-4-13(8-11(15)16)12(17)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyNTFIXYCATVWZMK-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391
3-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]propanoic acid
CID 62331863
2-[(2,4-dimethylpiperidine-1-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 79272643
2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
CID 102783342
1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744036
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
2-[(2-amino-2-oxoethyl)-(2,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107439357
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid (CID 62331670) is 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid?
The InChIKey is NTFIXYCATVWZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13(8-11(15)16)12(17)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid?
2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid has a molecular weight of 242.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 62331670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).