(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride

C8H15ClN2O — CID 171221255

IUPAC(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccc[nH]1
InChIInChI=1S/C8H14N2O.ClH/c9-7(3-2-6-11)8-4-1-5-10-8;/h1,4-5,7,10-11H,2-3,6,9H2;1H/t7-;/m0./s1
InChIKeyRSDUFOBLTVZPAV-FJXQXJEOSA-N
MW190.67 g/mol
LogP1.21
Rot. Bonds4

About (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride

(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride (PubChem CID 171221255) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
PubChem CID171221255
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccc[nH]1
InChIInChI=1S/C8H14N2O.ClH/c9-7(3-2-6-11)8-4-1-5-10-8;/h1,4-5,7,10-11H,2-3,6,9H2;1H/t7-;/m0./s1
InChIKeyRSDUFOBLTVZPAV-FJXQXJEOSA-N
XLogP1.21
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
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(3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propan-1-ol;hydrochloride
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3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
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(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride (CID 171221255) is (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1ccc[nH]1.
What is the InChIKey of (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride?
The InChIKey is RSDUFOBLTVZPAV-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H14N2O.ClH/c9-7(3-2-6-11)8-4-1-5-10-8;/h1,4-5,7,10-11H,2-3,6,9H2;1H/t7-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride has a molecular weight of 190.67 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171221255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).