3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide

C9H12N2O3 — CID 115185211

IUPAC3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
SMILESO=C(Nc1cc[nH]c1)C1(CO)COC1
InChIInChI=1S/C9H12N2O3/c12-4-9(5-14-6-9)8(13)11-7-1-2-10-3-7/h1-3,10,12H,4-6H2,(H,11,13)
InChIKeyCSPSBIOPWMZNMQ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.04
Rot. Bonds3

About 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide

3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide (PubChem CID 115185211) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
PubChem CID115185211
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide
SMILESO=C(Nc1cc[nH]c1)C1(CO)COC1
InChIInChI=1S/C9H12N2O3/c12-4-9(5-14-6-9)8(13)11-7-1-2-10-3-7/h1-3,10,12H,4-6H2,(H,11,13)
InChIKeyCSPSBIOPWMZNMQ-UHFFFAOYSA-N
XLogP-0.04
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrol-3-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184907
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
3-(1H-pyrrol-3-ylmethyl)oxetane-3-carboxylic acid
CID 116930117
3-oxo-3-(1H-pyrrol-3-ylamino)propanoic acid
CID 115163232
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226
1-cyano-N-(1H-pyrrol-3-yl)cyclopropane-1-carboxamide
CID 115181401
[3-(1H-pyrrol-3-yl)oxetan-3-yl]methanol
CID 116829727
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]oxetane-3-carboxamide
CID 115185742
N-(5-fluoro-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185186
N-(5-bromo-2-methoxyphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185194
2-[3-(1H-pyrrol-3-yl)oxetan-3-yl]acetic acid
CID 116871859
3-(hydroxymethyl)-N-(2-methyl-2-phenylpropyl)oxetane-3-carboxamide
CID 115185485

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide (CID 115185211) is 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide is O=C(Nc1cc[nH]c1)C1(CO)COC1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
The InChIKey is CSPSBIOPWMZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-4-9(5-14-6-9)8(13)11-7-1-2-10-3-7/h1-3,10,12H,4-6H2,(H,11,13).
What are the key properties of 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide?
3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1H-pyrrol-3-yl)oxetane-3-carboxamide is sourced from PubChem (CID 115185211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).