(2S)-2-methoxybutan-1-amine

C5H13NO — CID 42427147

IUPAC(2S)-2-methoxybutan-1-amine
SMILESCC[C@@H](CN)OC
InChIInChI=1S/C5H13NO/c1-3-5(4-6)7-2/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyVUZDMYKIULCESL-YFKPBYRVSA-N
MW103.17 g/mol
LogP0.37
Rot. Bonds3

About (2S)-2-methoxybutan-1-amine

(2S)-2-methoxybutan-1-amine (PubChem CID 42427147) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is (2S)-2-methoxybutan-1-amine.

Molecular Properties

Compound Name(2S)-2-methoxybutan-1-amine
PubChem CID42427147
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name(2S)-2-methoxybutan-1-amine
SMILESCC[C@@H](CN)OC
InChIInChI=1S/C5H13NO/c1-3-5(4-6)7-2/h5H,3-4,6H2,1-2H3/t5-/m0/s1
InChIKeyVUZDMYKIULCESL-YFKPBYRVSA-N
XLogP0.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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)-2-methoxybutan-1-amine?
The IUPAC name of (2S)-2-methoxybutan-1-amine (CID 42427147) is (2S)-2-methoxybutan-1-amine.
What is the SMILES notation for (2S)-2-methoxybutan-1-amine?
The canonical SMILES for (2S)-2-methoxybutan-1-amine is CC[C@@H](CN)OC.
What is the InChIKey of (2S)-2-methoxybutan-1-amine?
The InChIKey is VUZDMYKIULCESL-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H13NO/c1-3-5(4-6)7-2/h5H,3-4,6H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-methoxybutan-1-amine?
(2S)-2-methoxybutan-1-amine has a molecular weight of 103.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxybutan-1-amine is sourced from PubChem (CID 42427147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).