2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid

C14H25N3O4 — CID 116682866

IUPAC2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H25N3O4/c1-11(13(18)19)12-9-17(10-12)14(20)15-3-2-4-16-5-7-21-8-6-16/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyVBFOOLYJCNHVMS-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.07
Rot. Bonds6

About 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid

2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116682866) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116682866
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCCN2CCOCC2)C1
InChIInChI=1S/C14H25N3O4/c1-11(13(18)19)12-9-17(10-12)14(20)15-3-2-4-16-5-7-21-8-6-16/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19)
InChIKeyVBFOOLYJCNHVMS-UHFFFAOYSA-N
XLogP0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-(4-morpholin-4-yl-4-oxobutyl)azetidin-3-yl]propanoic acid
CID 116684155
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116682866) is 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCCCN2CCOCC2)C1.
What is the InChIKey of 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is VBFOOLYJCNHVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(13(18)19)12-9-17(10-12)14(20)15-3-2-4-16-5-7-21-8-6-16/h11-12H,2-10H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).