2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid

C12H22N2O4 — CID 79608279

IUPAC2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCOCCNC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-18-7-4-13-11(15)9-14-5-2-10(3-6-14)8-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyOXXOGZPPUHSYHY-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.06
Rot. Bonds7

About 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid

2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 79608279) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID79608279
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCOCCNC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-18-7-4-13-11(15)9-14-5-2-10(3-6-14)8-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17)
InChIKeyOXXOGZPPUHSYHY-UHFFFAOYSA-N
XLogP-0.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618906
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79605754
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
CID 171700198
N-(2-methoxyethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51072787
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid (CID 79608279) is 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid is COCCNC(=O)CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is OXXOGZPPUHSYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-18-7-4-13-11(15)9-14-5-2-10(3-6-14)8-12(16)17/h10H,2-9H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).