3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol

C9H16N2O2 — CID 170829345

IUPAC3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol
SMILESCc1cc(C)c(C(O)C(O)CN)[nH]1
InChIInChI=1S/C9H16N2O2/c1-5-3-6(2)11-8(5)9(13)7(12)4-10/h3,7,9,11-13H,4,10H2,1-2H3
InChIKeyLWSIXYGTRNYENJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.02
Rot. Bonds3

About 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol

3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol (PubChem CID 170829345) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol
PubChem CID170829345
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol
SMILESCc1cc(C)c(C(O)C(O)CN)[nH]1
InChIInChI=1S/C9H16N2O2/c1-5-3-6(2)11-8(5)9(13)7(12)4-10/h3,7,9,11-13H,4,10H2,1-2H3
InChIKeyLWSIXYGTRNYENJ-UHFFFAOYSA-N
XLogP-0.02
TPSA82.27 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrrol-2-yl)-2,3-dihydroxypropanenitrile
CID 171871582
3-amino-1-(4-amino-3,5-dimethylphenyl)propane-1,2-diol
CID 170828087
3-amino-1-(4-hydroxy-2,6-dimethylphenyl)propane-1,2-diol
CID 170827987
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropan-1-amine
CID 55292741
(1S)-1-(3,5-dimethyl-1H-pyrrol-2-yl)butan-1-amine
CID 55293029
3-amino-1-(3-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827972
(3R)-3-amino-3-(3,5-dimethyl-1H-pyrrol-2-yl)propanenitrile
CID 55277593
3-amino-1-(3,5-dimethyl-1H-pyrazol-4-yl)propane-1,2-diol
CID 170827509
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-1-(2-hydroxy-4-methylphenyl)propane-1,2-diol
CID 170827678
3-amino-1-(5-methyl-1H-imidazol-4-yl)propane-1,2-diol
CID 170827482

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol (CID 170829345) is 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol is Cc1cc(C)c(C(O)C(O)CN)[nH]1.
What is the InChIKey of 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol?
The InChIKey is LWSIXYGTRNYENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-5-3-6(2)11-8(5)9(13)7(12)4-10/h3,7,9,11-13H,4,10H2,1-2H3.
What are the key properties of 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol?
3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol has a molecular weight of 184.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-dimethyl-1H-pyrrol-2-yl)propane-1,2-diol is sourced from PubChem (CID 170829345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).