(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol

C7H11BrN2O — CID 130624656

IUPAC(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol
SMILESN[C@H](CCO)c1[nH]ccc1Br
InChIInChI=1S/C7H11BrN2O/c8-5-1-3-10-7(5)6(9)2-4-11/h1,3,6,10-11H,2,4,9H2/t6-/m1/s1
InChIKeyALBJFVUFMJMUKV-ZCFIWIBFSA-N
MW219.08 g/mol
LogP1.16
Rot. Bonds3

About (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol

(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol (PubChem CID 130624656) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol
PubChem CID130624656
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol
SMILESN[C@H](CCO)c1[nH]ccc1Br
InChIInChI=1S/C7H11BrN2O/c8-5-1-3-10-7(5)6(9)2-4-11/h1,3,6,10-11H,2,4,9H2/t6-/m1/s1
InChIKeyALBJFVUFMJMUKV-ZCFIWIBFSA-N
XLogP1.16
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propanenitrile
CID 130624691
3-[(1S)-1-amino-3-hydroxypropyl]-1H-pyrrole-2-carbonitrile
CID 130664887
(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 130713759
(3R)-3-amino-3-(5-bromo-1H-pyrrol-3-yl)propan-1-ol
CID 131057053
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
(3R)-3-amino-3-(2,5-dibromophenyl)propan-1-ol
CID 131090689
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 84711249
(3R)-3-amino-3-(5-bromo-2-chlorophenyl)propan-1-ol
CID 130740189

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol (CID 130624656) is (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol is N[C@H](CCO)c1[nH]ccc1Br.
What is the InChIKey of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol?
The InChIKey is ALBJFVUFMJMUKV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11BrN2O/c8-5-1-3-10-7(5)6(9)2-4-11/h1,3,6,10-11H,2,4,9H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol?
(3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol has a molecular weight of 219.08 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-bromo-1H-pyrrol-2-yl)propan-1-ol is sourced from PubChem (CID 130624656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).