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

C10H18N2O3 — CID 116681621

IUPAC2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCCCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-3-4-11-10(15)12-5-8(6-12)7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyKBCSSQGEMQBWGD-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.76
Rot. Bonds4

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

2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116681621) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116681621
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCCCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-3-4-11-10(15)12-5-8(6-12)7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyKBCSSQGEMQBWGD-UHFFFAOYSA-N
XLogP0.76
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
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-prop-2-enylsulfanylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106430852
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944
2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116681621) is 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid is CCCNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is KBCSSQGEMQBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-11-10(15)12-5-8(6-12)7(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).