2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid

C11H21N3O3 — CID 107142554

IUPAC2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
SMILESCCCNC(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H21N3O3/c1-2-4-13-9(15)3-5-14-11(6-10(16)17)7-12-8-11/h12,14H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyQPZOCIDOBMZBIF-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.69
Rot. Bonds8

About 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid

2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid (PubChem CID 107142554) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
PubChem CID107142554
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
SMILESCCCNC(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C11H21N3O3/c1-2-4-13-9(15)3-5-14-11(6-10(16)17)7-12-8-11/h12,14H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyQPZOCIDOBMZBIF-UHFFFAOYSA-N
XLogP-0.69
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic 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-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107143026
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
CID 107143147
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
CID 106215248
3-[[2-(azetidin-3-yl)acetyl]amino]-N-propylpropanamide
CID 64612461
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106419710

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid (CID 107142554) is 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid is CCCNC(=O)CCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid?
The InChIKey is QPZOCIDOBMZBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-4-13-9(15)3-5-14-11(6-10(16)17)7-12-8-11/h12,14H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid?
2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid has a molecular weight of 243.31 g/mol, XLogP of -0.69, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).