(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol

C10H18N2O — CID 130718418

IUPAC(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
SMILESCC(C)[C@@H](O)[C@@H](N)c1cccn1C
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)9(11)8-5-4-6-12(8)3/h4-7,9-10,13H,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyQHHKZBDNJBCSEP-VHSXEESVSA-N
MW182.27 g/mol
LogP1.04
Rot. Bonds3

About (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol

(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol (PubChem CID 130718418) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
PubChem CID130718418
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol
SMILESCC(C)[C@@H](O)[C@@H](N)c1cccn1C
InChIInChI=1S/C10H18N2O/c1-7(2)10(13)9(11)8-5-4-6-12(8)3/h4-7,9-10,13H,11H2,1-3H3/t9-,10+/m0/s1
InChIKeyQHHKZBDNJBCSEP-VHSXEESVSA-N
XLogP1.04
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-3,3-dimethyl-1-(1-methylpyrrol-2-yl)butan-2-ol
CID 130666304
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825
1-(1-methylpyrrol-2-yl)ethanethiol
CID 170267001
methoxy-(1-methylpyrrol-2-yl)methanol
CID 45087864
2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethanol
CID 14788370
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
(1S)-3-methyl-1-(1-methylpyrrol-2-yl)but-3-en-1-amine
CID 130897911
methyl (2S)-2-amino-2-(1-methylpyrrol-2-yl)acetate;hydrochloride
CID 171212602
3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
[hydroxy-(1-methylpyrrol-2-yl)methyl]phosphonic acid
CID 130694036
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293052
(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
CID 55265665

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The IUPAC name of (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol (CID 130718418) is (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol is CC(C)[C@@H](O)[C@@H](N)c1cccn1C.
What is the InChIKey of (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
The InChIKey is QHHKZBDNJBCSEP-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)10(13)9(11)8-5-4-6-12(8)3/h4-7,9-10,13H,11H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol?
(1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-3-methyl-1-(1-methylpyrrol-2-yl)butan-2-ol is sourced from PubChem (CID 130718418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).