(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol

C10H18N2O — CID 66672978

IUPAC(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol
SMILESCn1cccc1CC[C@@](C)(N)CO
InChIInChI=1S/C10H18N2O/c1-10(11,8-13)6-5-9-4-3-7-12(9)2/h3-4,7,13H,5-6,8,11H2,1-2H3/t10-/m1/s1
InChIKeyMGKHZGPSGAFREA-SNVBAGLBSA-N
MW182.27 g/mol
LogP0.67
Rot. Bonds4

About (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol

(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol (PubChem CID 66672978) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol
PubChem CID66672978
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol
SMILESCn1cccc1CC[C@@](C)(N)CO
InChIInChI=1S/C10H18N2O/c1-10(11,8-13)6-5-9-4-3-7-12(9)2/h3-4,7,13H,5-6,8,11H2,1-2H3/t10-/m1/s1
InChIKeyMGKHZGPSGAFREA-SNVBAGLBSA-N
XLogP0.67
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol?
The IUPAC name of (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol (CID 66672978) is (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol?
The canonical SMILES for (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol is Cn1cccc1CC[C@@](C)(N)CO.
What is the InChIKey of (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol?
The InChIKey is MGKHZGPSGAFREA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(11,8-13)6-5-9-4-3-7-12(9)2/h3-4,7,13H,5-6,8,11H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol?
(2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-methyl-4-(1-methylpyrrol-2-yl)butan-1-ol is sourced from PubChem (CID 66672978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).