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

C10H17N3O5 — CID 116683564

IUPAC2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCOC(N)=O)C1
InChIInChI=1S/C10H17N3O5/c1-6(8(14)15)7-4-13(5-7)10(17)12-2-3-18-9(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,17)(H,14,15)
InChIKeyAXCMJEVUWAQWIA-UHFFFAOYSA-N
MW259.26 g/mol
LogP-0.56
Rot. Bonds5

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

2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116683564) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116683564
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCOC(N)=O)C1
InChIInChI=1S/C10H17N3O5/c1-6(8(14)15)7-4-13(5-7)10(17)12-2-3-18-9(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,17)(H,14,15)
InChIKeyAXCMJEVUWAQWIA-UHFFFAOYSA-N
XLogP-0.56
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
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-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
2-[2-(azetidin-3-yl)propanoylamino]ethyl carbamate
CID 116678814
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866
2-[1-(3-piperazin-1-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682977

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116683564) is 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCCOC(N)=O)C1.
What is the InChIKey of 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is AXCMJEVUWAQWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(8(14)15)7-4-13(5-7)10(17)12-2-3-18-9(11)16/h6-7H,2-5H2,1H3,(H2,11,16)(H,12,17)(H,14,15).
What are the key properties of 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 259.26 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).