(2S,3R)-3-methoxybutan-2-amine

C5H13NO — CID 89325189

IUPAC(2S,3R)-3-methoxybutan-2-amine
SMILESCO[C@H](C)[C@H](C)N
InChIInChI=1S/C5H13NO/c1-4(6)5(2)7-3/h4-5H,6H2,1-3H3/t4-,5+/m0/s1
InChIKeyZAZPNEAXPOUSEQ-CRCLSJGQSA-N
MW103.17 g/mol
LogP0.37
Rot. Bonds2

About (2S,3R)-3-methoxybutan-2-amine

(2S,3R)-3-methoxybutan-2-amine (PubChem CID 89325189) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is (2S,3R)-3-methoxybutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-3-methoxybutan-2-amine
PubChem CID89325189
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name(2S,3R)-3-methoxybutan-2-amine
SMILESCO[C@H](C)[C@H](C)N
InChIInChI=1S/C5H13NO/c1-4(6)5(2)7-3/h4-5H,6H2,1-3H3/t4-,5+/m0/s1
InChIKeyZAZPNEAXPOUSEQ-CRCLSJGQSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxybutan-2-amine?
The IUPAC name of (2S,3R)-3-methoxybutan-2-amine (CID 89325189) is (2S,3R)-3-methoxybutan-2-amine.
What is the SMILES notation for (2S,3R)-3-methoxybutan-2-amine?
The canonical SMILES for (2S,3R)-3-methoxybutan-2-amine is CO[C@H](C)[C@H](C)N.
What is the InChIKey of (2S,3R)-3-methoxybutan-2-amine?
The InChIKey is ZAZPNEAXPOUSEQ-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(6)5(2)7-3/h4-5H,6H2,1-3H3/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-3-methoxybutan-2-amine?
(2S,3R)-3-methoxybutan-2-amine has a molecular weight of 103.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxybutan-2-amine is sourced from PubChem (CID 89325189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).