(2R,3R)-3-aminobutan-2-ol;hydron

C4H12NO+ — CID 173377832

IUPAC(2R,3R)-3-aminobutan-2-ol;hydron
SMILESC[C@@H](N)[C@@H](C)O.[H+]
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1/t3-,4-/m1/s1
InChIKeyFERWBXLFSBWTDE-QWWZWVQMSA-O
MW90.15 g/mol
LogP-0.17
Rot. Bonds1

About (2R,3R)-3-aminobutan-2-ol;hydron

(2R,3R)-3-aminobutan-2-ol;hydron (PubChem CID 173377832) has the molecular formula C4H12NO+ and a molecular weight of 90.15 g/mol. Its IUPAC name is (2R,3R)-3-aminobutan-2-ol;hydron.

Molecular Properties

Compound Name(2R,3R)-3-aminobutan-2-ol;hydron
PubChem CID173377832
Molecular FormulaC4H12NO+
Molecular Weight90.15 g/mol
Exact Mass90.09
IUPAC Name(2R,3R)-3-aminobutan-2-ol;hydron
SMILESC[C@@H](N)[C@@H](C)O.[H+]
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1/t3-,4-/m1/s1
InChIKeyFERWBXLFSBWTDE-QWWZWVQMSA-O
XLogP-0.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-aminobutan-2-ol;hydron?
The IUPAC name of (2R,3R)-3-aminobutan-2-ol;hydron (CID 173377832) is (2R,3R)-3-aminobutan-2-ol;hydron.
What is the SMILES notation for (2R,3R)-3-aminobutan-2-ol;hydron?
The canonical SMILES for (2R,3R)-3-aminobutan-2-ol;hydron is C[C@@H](N)[C@@H](C)O.[H+].
What is the InChIKey of (2R,3R)-3-aminobutan-2-ol;hydron?
The InChIKey is FERWBXLFSBWTDE-QWWZWVQMSA-O. The full InChI is InChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/p+1/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-3-aminobutan-2-ol;hydron?
(2R,3R)-3-aminobutan-2-ol;hydron has a molecular weight of 90.15 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-aminobutan-2-ol;hydron is sourced from PubChem (CID 173377832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).