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

C10H14N2O3 — CID 116874591

IUPAC3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
SMILESNC(CC(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H14N2O3/c11-7(4-9(13)14)10(5-15-6-10)8-2-1-3-12-8/h1-3,7,12H,4-6,11H2,(H,13,14)
InChIKeySEALOSWEBAGQOP-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.08
Rot. Bonds4

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

3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid (PubChem CID 116874591) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
PubChem CID116874591
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
SMILESNC(CC(=O)O)C1(c2ccc[nH]2)COC1
InChIInChI=1S/C10H14N2O3/c11-7(4-9(13)14)10(5-15-6-10)8-2-1-3-12-8/h1-3,7,12H,4-6,11H2,(H,13,14)
InChIKeySEALOSWEBAGQOP-UHFFFAOYSA-N
XLogP0.08
TPSA88.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
CID 116872063
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-(2,4-difluorophenyl)oxetan-3-yl]propanoic acid
CID 116874590
2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
CID 83696021
3-amino-4-oxo-4-(1H-pyrrol-2-yl)butanoic acid
CID 53424173
3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
(3S)-3-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273447
3-amino-4-(methylamino)-4-(1H-pyrrol-2-yl)butanoic acid
CID 116957911
(3-methyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate
CID 165176051
1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
CID 116844165

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid (CID 116874591) is 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid is NC(CC(=O)O)C1(c2ccc[nH]2)COC1.
What is the InChIKey of 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
The InChIKey is SEALOSWEBAGQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-7(4-9(13)14)10(5-15-6-10)8-2-1-3-12-8/h1-3,7,12H,4-6,11H2,(H,13,14).
What are the key properties of 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid?
3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid is sourced from PubChem (CID 116874591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).