2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid

C12H21NO4 — CID 103019290

IUPAC2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
SMILESCOC(C)(C)CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-8(11(15)16)9-6-13(7-9)10(14)5-12(2,3)17-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHRLRPAJWYQHSG-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.98
Rot. Bonds5

About 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid

2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid (PubChem CID 103019290) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
PubChem CID103019290
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid
SMILESCOC(C)(C)CC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-8(11(15)16)9-6-13(7-9)10(14)5-12(2,3)17-4/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHRLRPAJWYQHSG-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic 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-[1-(2-methoxy-2-methylpropanoyl)azetidin-3-yl]propanoic acid
CID 103019292
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
1-(3-aminopyrrolidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103021399
1-[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-3-methoxy-3-methylbutan-1-one
CID 103019534
2-[1-(4-amino-3-methylbutanoyl)azetidin-3-yl]propanoic acid
CID 116682344
1-(3-aminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103017160
2-[4-(3-methoxy-3-methylbutanoyl)piperazin-1-yl]propanethioamide
CID 103020435
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
2-[1-(2-phenylsulfanylacetyl)azetidin-3-yl]propanoic acid
CID 116681574

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid (CID 103019290) is 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid is COC(C)(C)CC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
The InChIKey is YHRLRPAJWYQHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(11(15)16)9-6-13(7-9)10(14)5-12(2,3)17-4/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid?
2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid has a molecular weight of 243.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutanoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 103019290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).