3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol

C8H14N2O2 — CID 66177182

IUPAC3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCc1ccc[nH]1
InChIInChI=1S/C8H14N2O2/c11-6-8(12)5-9-4-7-2-1-3-10-7/h1-3,8-12H,4-6H2
InChIKeyPOVLPJIKCYICQL-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.54
Rot. Bonds5

About 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol

3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol (PubChem CID 66177182) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
PubChem CID66177182
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol
SMILESOCC(O)CNCc1ccc[nH]1
InChIInChI=1S/C8H14N2O2/c11-6-8(12)5-9-4-7-2-1-3-10-7/h1-3,8-12H,4-6H2
InChIKeyPOVLPJIKCYICQL-UHFFFAOYSA-N
XLogP-0.54
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-(1H-pyrrol-2-ylmethylamino)pentanoic acid
CID 115122693
3-ethyl-1-(1H-pyrrol-2-ylmethylamino)pentan-2-ol
CID 103578645
2,3-dimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 64570071
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
2-(1H-pyrrol-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 103578658
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
N-(methoxymethyl)-1-(1H-pyrrol-2-yl)methanamine
CID 115258536
1-(1H-pyrrol-2-yl)-N-[[2,4,6-trimethyl-3,5-bis[(1H-pyrrol-2-ylmethylamino)methyl]phenyl]methyl]methanamine
CID 72697855
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol?
The IUPAC name of 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol (CID 66177182) is 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol?
The canonical SMILES for 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol is OCC(O)CNCc1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol?
The InChIKey is POVLPJIKCYICQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-6-8(12)5-9-4-7-2-1-3-10-7/h1-3,8-12H,4-6H2.
What are the key properties of 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol?
3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol has a molecular weight of 170.21 g/mol, XLogP of -0.54, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-ylmethylamino)propane-1,2-diol is sourced from PubChem (CID 66177182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).