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

C8H14ClNO2 — CID 171231726

IUPAC(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccco1
InChIInChI=1S/C8H13NO2.ClH/c9-7(3-1-5-10)8-4-2-6-11-8;/h2,4,6-7,10H,1,3,5,9H2;1H/t7-;/m0./s1
InChIKeyRWVYASVNODVBPZ-FJXQXJEOSA-N
MW191.66 g/mol
LogP1.47
Rot. Bonds4

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

(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride (PubChem CID 171231726) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
PubChem CID171231726
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccco1
InChIInChI=1S/C8H13NO2.ClH/c9-7(3-1-5-10)8-4-2-6-11-8;/h2,4,6-7,10H,1,3,5,9H2;1H/t7-;/m0./s1
InChIKeyRWVYASVNODVBPZ-FJXQXJEOSA-N
XLogP1.47
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(furan-2-yl)butan-1-ol
CID 131230101
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(5S)-5-amino-5-(furan-2-yl)pentanoic acid
CID 55264220
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
1-(furan-2-yl)decan-1-amine
CID 62716123
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139
1-(furan-2-yl)-3,3-dimethylbutan-1-amine;hydrochloride
CID 86263034

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride (CID 171231726) is (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1ccco1.
What is the InChIKey of (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride?
The InChIKey is RWVYASVNODVBPZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c9-7(3-1-5-10)8-4-2-6-11-8;/h2,4,6-7,10H,1,3,5,9H2;1H/t7-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171231726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).