3-hydroxybutan-2-ylazanium

C4H12NO+ — CID 74652589

IUPAC3-hydroxybutan-2-ylazanium
SMILESCC([NH3+])C(C)O
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1
InChIKeyFERWBXLFSBWTDE-UHFFFAOYSA-O
MW90.15 g/mol
LogP-1.00
Rot. Bonds1

About 3-hydroxybutan-2-ylazanium

3-hydroxybutan-2-ylazanium (PubChem CID 74652589) has the molecular formula C4H12NO+ and a molecular weight of 90.15 g/mol. Its IUPAC name is 3-hydroxybutan-2-ylazanium.

Molecular Properties

Compound Name3-hydroxybutan-2-ylazanium
PubChem CID74652589
Molecular FormulaC4H12NO+
Molecular Weight90.15 g/mol
Exact Mass90.09
IUPAC Name3-hydroxybutan-2-ylazanium
SMILESCC([NH3+])C(C)O
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1
InChIKeyFERWBXLFSBWTDE-UHFFFAOYSA-O
XLogP-1.00
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
gold;platinum;pentakis(propan-2-ol)
CID 171063749
butane-2,3-diol;propan-2-ol
CID 88653918
propan-2-ylazanium
CID 3364502
1-hydroxyethylazanium tetrafluoroborate
CID 87299825
(2S,3S,4S,5R)-hexane-2,3,4,5-tetrol
CID 92527383
2-azaniumyl-3-hydroxybutanoate
CID 15341575
(2R,3S)-2-azaniumyl-3-hydroxybutanoate
CID 6995277
heptane-2,3,4,5,6-pentol
CID 59809248
(2S)-3-aminobutan-2-ol
CID 90804830
(5S)-octane-2,3,4,5,6,7-hexol
CID 173491903
(1S)-1-chloropropane-1,2-diol
CID 57125002

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutan-2-ylazanium?
The IUPAC name of 3-hydroxybutan-2-ylazanium (CID 74652589) is 3-hydroxybutan-2-ylazanium.
What is the SMILES notation for 3-hydroxybutan-2-ylazanium?
The canonical SMILES for 3-hydroxybutan-2-ylazanium is CC([NH3+])C(C)O.
What is the InChIKey of 3-hydroxybutan-2-ylazanium?
The InChIKey is FERWBXLFSBWTDE-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1.
What are the key properties of 3-hydroxybutan-2-ylazanium?
3-hydroxybutan-2-ylazanium has a molecular weight of 90.15 g/mol, XLogP of -1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutan-2-ylazanium is sourced from PubChem (CID 74652589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).