2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid

C10H13NO3 — CID 116872063

IUPAC2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H13NO3/c1-7(9(12)13)10(5-14-6-10)8-3-2-4-11-8/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKeyPBGTWVMKWIUTOG-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.00
Rot. Bonds3

About 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid

2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid (PubChem CID 116872063) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
PubChem CID116872063
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H13NO3/c1-7(9(12)13)10(5-14-6-10)8-3-2-4-11-8/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKeyPBGTWVMKWIUTOG-UHFFFAOYSA-N
XLogP1.00
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
CID 83696021
2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]butanoic acid
CID 116875211
2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
CID 116875677
3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
CID 116874591
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
2-[3-(1-methylindol-3-yl)oxetan-3-yl]propanoic acid
CID 116872061
2-[3-(2-oxo-3H-1,3-benzoxazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872084
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
2-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]propanoic acid
CID 116872058
2-(1,5,6-trimethyl-3-oxabicyclo[3.1.0]hexan-6-yl)propanoic acid
CID 123164557
acetic acid;2-methyl-1H-pyrrole
CID 160915740
3-(hydroxymethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)oxetane-3-carboxamide
CID 115185388

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid (CID 116872063) is 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid is CC(C(=O)O)C1(c2ccc[nH]2)COC1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The InChIKey is PBGTWVMKWIUTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(9(12)13)10(5-14-6-10)8-3-2-4-11-8/h2-4,7,11H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116872063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).