2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid

C14H26N2O4 — CID 102659342

IUPAC2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
SMILESCCC(CC)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-5-11(6-2)15-13(19)10(3)16-8-14(4,9-16)20-7-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKRMNPNHHZKOUBP-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.86
Rot. Bonds8

About 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid (PubChem CID 102659342) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
PubChem CID102659342
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
SMILESCCC(CC)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H26N2O4/c1-5-11(6-2)15-13(19)10(3)16-8-14(4,9-16)20-7-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKRMNPNHHZKOUBP-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic 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-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659595
2-[1-(1-cyanopropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659746
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 115874021
2-[1-(1-methoxy-3-methylbutan-2-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102660020
3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658836
2-(4-hydroxypiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 60719341
2-[3-methyl-1-(propylsulfamoyl)azetidin-3-yl]oxyacetic acid
CID 102657811
2-[1-(2-methoxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659454
2-[3-methyl-1-(4-propan-2-ylpiperazine-1-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102658618
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid (CID 102659342) is 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid is CCC(CC)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid?
The InChIKey is KRMNPNHHZKOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-11(6-2)15-13(19)10(3)16-8-14(4,9-16)20-7-12(17)18/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid has a molecular weight of 286.37 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).