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

C8H13NO2 — CID 131230101

IUPAC(4S)-4-amino-4-(furan-2-yl)butan-1-ol
SMILESN[C@@H](CCCO)c1ccco1
InChIInChI=1S/C8H13NO2/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5,9H2/t7-/m0/s1
InChIKeyPKFBARPUJDPSGW-ZETCQYMHSA-N
MW155.20 g/mol
LogP1.05
Rot. Bonds4

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

(4S)-4-amino-4-(furan-2-yl)butan-1-ol (PubChem CID 131230101) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (4S)-4-amino-4-(furan-2-yl)butan-1-ol.

Molecular Properties

Compound Name(4S)-4-amino-4-(furan-2-yl)butan-1-ol
PubChem CID131230101
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(4S)-4-amino-4-(furan-2-yl)butan-1-ol
SMILESN[C@@H](CCCO)c1ccco1
InChIInChI=1S/C8H13NO2/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5,9H2/t7-/m0/s1
InChIKeyPKFBARPUJDPSGW-ZETCQYMHSA-N
XLogP1.05
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-amino-4-(furan-2-yl)butan-1-ol;hydrochloride
CID 171231726
2-amino-2-(furan-2-yl)ethanol
CID 54048773
(5S)-5-amino-5-(furan-2-yl)pentanoic acid
CID 55264220
(1S)-1-(furan-2-yl)octan-1-amine
CID 98686139
1-(furan-2-yl)decan-1-amine
CID 62716123
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
3-amino-3-(furan-2-yl)propanoyl iodide
CID 163471239
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(furan-2-yl)butan-1-ol?
The IUPAC name of (4S)-4-amino-4-(furan-2-yl)butan-1-ol (CID 131230101) is (4S)-4-amino-4-(furan-2-yl)butan-1-ol.
What is the SMILES notation for (4S)-4-amino-4-(furan-2-yl)butan-1-ol?
The canonical SMILES for (4S)-4-amino-4-(furan-2-yl)butan-1-ol is N[C@@H](CCCO)c1ccco1.
What is the InChIKey of (4S)-4-amino-4-(furan-2-yl)butan-1-ol?
The InChIKey is PKFBARPUJDPSGW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO2/c9-7(3-1-5-10)8-4-2-6-11-8/h2,4,6-7,10H,1,3,5,9H2/t7-/m0/s1.
What are the key properties of (4S)-4-amino-4-(furan-2-yl)butan-1-ol?
(4S)-4-amino-4-(furan-2-yl)butan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 1.05, 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 is sourced from PubChem (CID 131230101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).