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

C9H17N3O3 — CID 116682968

IUPAC2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCN)C1
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)7-4-12(5-7)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyCZLPGDTXJMOLOF-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.69
Rot. Bonds4

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

2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116682968) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116682968
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCN)C1
InChIInChI=1S/C9H17N3O3/c1-6(8(13)14)7-4-12(5-7)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyCZLPGDTXJMOLOF-UHFFFAOYSA-N
XLogP-0.69
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
2-[1-(2-prop-2-enylsulfanylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106430852
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
1-(2-aminoethylcarbamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720942
2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116682968) is 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCCN)C1.
What is the InChIKey of 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is CZLPGDTXJMOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(8(13)14)7-4-12(5-7)9(15)11-3-2-10/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).