2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid

C11H20N2O4 — CID 79457260

IUPAC2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-9-2-5-13(6-3-9)11(16)12-4-7-17-8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyANKVLIPCRKPZOE-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds5

About 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457260) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457260
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
SMILESCC1CCN(C(=O)NCCOCC(=O)O)CC1
InChIInChI=1S/C11H20N2O4/c1-9-2-5-13(6-3-9)11(16)12-4-7-17-8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyANKVLIPCRKPZOE-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-propylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79462965
2-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464466
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
2-[2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79464404
2-[2-[(4-cyclopentylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463898
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
2-[2-[(4-propylpiperazine-1-carbonyl)amino]ethoxy]acetic acid
CID 79464461
2-[2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]ethoxy]acetic acid
CID 114799147
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
2-[2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)ethoxy]acetic acid
CID 79463861

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid (CID 79457260) is 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid is CC1CCN(C(=O)NCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is ANKVLIPCRKPZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9-2-5-13(6-3-9)11(16)12-4-7-17-8-10(14)15/h9H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpiperidine-1-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).