(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol

C7H11BrN2O — CID 130713759

IUPAC(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1c[nH]cc1Br
InChIInChI=1S/C7H11BrN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1
InChIKeyQYOGYGPPSGWHLU-ZETCQYMHSA-N
MW219.08 g/mol
LogP1.16
Rot. Bonds3

About (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol

(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol (PubChem CID 130713759) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
PubChem CID130713759
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1c[nH]cc1Br
InChIInChI=1S/C7H11BrN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1
InChIKeyQYOGYGPPSGWHLU-ZETCQYMHSA-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

(1R)-1-(4-fluoro-1H-pyrrol-3-yl)-3-methoxypropan-1-amine
CID 141041704
3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
CID 130054116
(3R)-3-amino-2,2-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
CID 130673652
(2S)-2-amino-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]ethanol
CID 130741102
(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol
CID 130884942
(3R)-3-amino-3-(5-fluoro-1H-pyrrol-3-yl)propan-1-ol
CID 131096973
(3R)-3-amino-3-(2-fluoro-1H-pyrrol-3-yl)propan-1-ol
CID 131146637
3-(1H-pyrrol-3-yl)-1-propanol
CID 21639277
3-(4-methyl-1H-pyrrol-3-yl)propan-1-ol
CID 54043203
2-amino-3-(1H-pyrrol-3-yl)propan-1-ol
CID 58599873
2-[4-(2-hydroxyethyl)-1H-pyrrol-3-yl]ethanol
CID 68468670
(1S)-3-methoxy-1-(4-methyl-1H-pyrrol-3-yl)propan-1-amine
CID 141041634

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol (CID 130713759) is (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol is N[C@@H](CCO)c1c[nH]cc1Br.
What is the InChIKey of (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is QYOGYGPPSGWHLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11BrN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol?
(3S)-3-amino-3-(4-bromo-1H-pyrrol-3-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 (3S)-3-amino-3-(4-bromo-1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 130713759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).