(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol

C11H20N2O — CID 18448118

IUPAC(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol
SMILESCCn1cccc1CC[C@@](C)(N)CO
InChIInChI=1S/C11H20N2O/c1-3-13-8-4-5-10(13)6-7-11(2,12)9-14/h4-5,8,14H,3,6-7,9,12H2,1-2H3/t11-/m1/s1
InChIKeyKWRQUQSLWMPYNV-LLVKDONJSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds5

About (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol

(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol (PubChem CID 18448118) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol
PubChem CID18448118
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol
SMILESCCn1cccc1CC[C@@](C)(N)CO
InChIInChI=1S/C11H20N2O/c1-3-13-8-4-5-10(13)6-7-11(2,12)9-14/h4-5,8,14H,3,6-7,9,12H2,1-2H3/t11-/m1/s1
InChIKeyKWRQUQSLWMPYNV-LLVKDONJSA-N
XLogP1.15
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol?
The IUPAC name of (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol (CID 18448118) is (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol is CCn1cccc1CC[C@@](C)(N)CO.
What is the InChIKey of (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol?
The InChIKey is KWRQUQSLWMPYNV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-13-8-4-5-10(13)6-7-11(2,12)9-14/h4-5,8,14H,3,6-7,9,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol?
(2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(1-ethylpyrrol-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 18448118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).