methyl 3-(3-aminoazetidin-1-yl)propanoate

C7H14N2O2 — CID 65249600

IUPACmethyl 3-(3-aminoazetidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)2-3-9-4-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyZKEXPXGDZKDYME-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.81
Rot. Bonds3

About methyl 3-(3-aminoazetidin-1-yl)propanoate

methyl 3-(3-aminoazetidin-1-yl)propanoate (PubChem CID 65249600) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-(3-aminoazetidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-aminoazetidin-1-yl)propanoate
PubChem CID65249600
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 3-(3-aminoazetidin-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)2-3-9-4-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyZKEXPXGDZKDYME-UHFFFAOYSA-N
XLogP-0.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-3-(dimethylamino)propanoate
CID 21896794
Methyl 3-(3-aminoazetidin-1-yl)-4,4,4-trifluorobutanoate
CID 83823452
Methyl 3-(azetidin-1-ium-1-yl)propanoate
CID 36691328
Methyl (2S)-2-amino-3-(dimethylamino)propanoate
CID 45088090
Methyl 3-(1-aminopropan-2-ylamino)propanoate
CID 53686455
Methyl 3-(2-aminopropylamino)propanoate
CID 54201167
Methyl 3-[2-aminoethyl(propyl)amino]propanoate
CID 58105419
Methyl 3-[(2-aminoethyl)(methyl)amino]propanoate
CID 58164948
Methyl 3-[2-aminoethyl(ethyl)amino]propanoate
CID 63383215
Methyl 3-[bis(2-aminopropyl)amino]propanoate
CID 90207605
Methyl 3-[1-[bis(3-methoxy-3-oxopropyl)amino]propan-2-ylamino]propanoate
CID 90207626
Methyl 3-[2-[bis(3-methoxy-3-oxopropyl)amino]propylamino]propanoate
CID 90207627

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-aminoazetidin-1-yl)propanoate?
The IUPAC name of methyl 3-(3-aminoazetidin-1-yl)propanoate (CID 65249600) is methyl 3-(3-aminoazetidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-aminoazetidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-aminoazetidin-1-yl)propanoate is COC(=O)CCN1CC(N)C1.
What is the InChIKey of methyl 3-(3-aminoazetidin-1-yl)propanoate?
The InChIKey is ZKEXPXGDZKDYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)2-3-9-4-6(8)5-9/h6H,2-5,8H2,1H3.
What are the key properties of methyl 3-(3-aminoazetidin-1-yl)propanoate?
methyl 3-(3-aminoazetidin-1-yl)propanoate has a molecular weight of 158.20 g/mol, XLogP of -0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-aminoazetidin-1-yl)propanoate is sourced from PubChem (CID 65249600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).