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

C7H12N2O2 — CID 115121889

IUPAC3-(1H-pyrrol-3-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cc[nH]c1
InChIInChI=1S/C7H12N2O2/c10-5-7(11)4-9-6-1-2-8-3-6/h1-3,7-11H,4-5H2
InChIKeyQPFMNBVOTVNOKD-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.22
Rot. Bonds4

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

3-(1H-pyrrol-3-ylamino)propane-1,2-diol (PubChem CID 115121889) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1H-pyrrol-3-ylamino)propane-1,2-diol
PubChem CID115121889
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name3-(1H-pyrrol-3-ylamino)propane-1,2-diol
SMILESOCC(O)CNc1cc[nH]c1
InChIInChI=1S/C7H12N2O2/c10-5-7(11)4-9-6-1-2-8-3-6/h1-3,7-11H,4-5H2
InChIKeyQPFMNBVOTVNOKD-UHFFFAOYSA-N
XLogP-0.22
TPSA68.28 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloroanilino)propane-1,2-diol
CID 76891534
3-[4-amino-2-(1H-pyrrol-3-yl)anilino]propane-1,2-diol
CID 23286915
3-amino-4-(1H-pyrrol-3-ylamino)butanoic acid
CID 115241470
[4-(2,3-dihydroxypropylamino)phenyl]boronic acid
CID 168597172
3-[4-(2H-tetrazol-5-yl)anilino]propane-1,2-diol
CID 168597238
3-[4-(3,5-dichlorophenyl)anilino]propane-1,2-diol
CID 168593759
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
3-(3-methylanilino)propane-1,2-diol
CID 3016394
2-[4-(2,3-dihydroxypropylamino)phenyl]acetic acid
CID 82095820
3-(2,3-dihydroxypropylamino)-N'-hydroxybenzenecarboximidamide
CID 86661514
N-(2-piperazin-1-ylpropyl)-1H-pyrrol-3-amine
CID 115255619
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
CID 168596127

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1H-pyrrol-3-ylamino)propane-1,2-diol (CID 115121889) is 3-(1H-pyrrol-3-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1H-pyrrol-3-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1H-pyrrol-3-ylamino)propane-1,2-diol is OCC(O)CNc1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrol-3-ylamino)propane-1,2-diol?
The InChIKey is QPFMNBVOTVNOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-5-7(11)4-9-6-1-2-8-3-6/h1-3,7-11H,4-5H2.
What are the key properties of 3-(1H-pyrrol-3-ylamino)propane-1,2-diol?
3-(1H-pyrrol-3-ylamino)propane-1,2-diol has a molecular weight of 156.19 g/mol, XLogP of -0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-ylamino)propane-1,2-diol is sourced from PubChem (CID 115121889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).