2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid

C11H20N2O4 — CID 81079004

IUPAC2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-4-2-3-9(11(15)16)13-10(14)5-8-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWYZJGVSSMLNYMR-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.41
Rot. Bonds8

About 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid

2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid (PubChem CID 81079004) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
PubChem CID81079004
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1CNC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-17-4-2-3-9(11(15)16)13-10(14)5-8-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWYZJGVSSMLNYMR-UHFFFAOYSA-N
XLogP-0.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81076824
5-methoxy-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 81078555
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]pentanoic acid
CID 81076491
2-(4-aminopentanoylamino)-5-methoxypentanoic acid
CID 81077924
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
2-(decanoylamino)-5-methoxypentanoic acid
CID 81085342
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methoxybutanoic acid
CID 62479316

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid (CID 81079004) is 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)CC1CNC1)C(=O)O.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The InChIKey is WYZJGVSSMLNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-17-4-2-3-9(11(15)16)13-10(14)5-8-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid?
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81079004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).