2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

C10H18N2O4 — CID 64618906

IUPAC2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCOCCNC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-16-3-2-11-9(13)7-12-5-8(6-12)4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyILHIUTKIJVPSAB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.84
Rot. Bonds7

About 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64618906) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64618906
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCOCCNC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-16-3-2-11-9(13)7-12-5-8(6-12)4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15)
InChIKeyILHIUTKIJVPSAB-UHFFFAOYSA-N
XLogP-0.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.84
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]piperidin-4-yl]acetic acid
CID 79608279
2-[1-[2-oxo-2-(prop-2-ynylamino)ethyl]azetidin-3-yl]acetic acid
CID 64617723
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
2-(4-hydroxypiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 27070086
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N-(2-methoxyethyl)acetamide
CID 102935622
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738482
2-(2,6-dimethylmorpholin-4-yl)-N-(3-methoxypropyl)acetamide
CID 78787184
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64618906) is 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid is COCCNC(=O)CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is ILHIUTKIJVPSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-16-3-2-11-9(13)7-12-5-8(6-12)4-10(14)15/h8H,2-7H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 230.26 g/mol, XLogP of -0.84, 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]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).