4-amino-1-methoxybutan-2-ol

C5H13NO2 — CID 63947278

IUPAC4-amino-1-methoxybutan-2-ol
SMILESCOCC(O)CCN
InChIInChI=1S/C5H13NO2/c1-8-4-5(7)2-3-6/h5,7H,2-4,6H2,1H3
InChIKeyKYRDOZQCNGHFMM-UHFFFAOYSA-N
MW119.16 g/mol
LogP-0.66
Rot. Bonds4

About 4-amino-1-methoxybutan-2-ol

4-amino-1-methoxybutan-2-ol (PubChem CID 63947278) has the molecular formula C5H13NO2 and a molecular weight of 119.16 g/mol. Its IUPAC name is 4-amino-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-amino-1-methoxybutan-2-ol
PubChem CID63947278
Molecular FormulaC5H13NO2
Molecular Weight119.16 g/mol
Exact Mass119.09
IUPAC Name4-amino-1-methoxybutan-2-ol
SMILESCOCC(O)CCN
InChIInChI=1S/C5H13NO2/c1-8-4-5(7)2-3-6/h5,7H,2-4,6H2,1H3
InChIKeyKYRDOZQCNGHFMM-UHFFFAOYSA-N
XLogP-0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxybutan-2-ol?
The IUPAC name of 4-amino-1-methoxybutan-2-ol (CID 63947278) is 4-amino-1-methoxybutan-2-ol.
What is the SMILES notation for 4-amino-1-methoxybutan-2-ol?
The canonical SMILES for 4-amino-1-methoxybutan-2-ol is COCC(O)CCN.
What is the InChIKey of 4-amino-1-methoxybutan-2-ol?
The InChIKey is KYRDOZQCNGHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2/c1-8-4-5(7)2-3-6/h5,7H,2-4,6H2,1H3.
What are the key properties of 4-amino-1-methoxybutan-2-ol?
4-amino-1-methoxybutan-2-ol has a molecular weight of 119.16 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxybutan-2-ol is sourced from PubChem (CID 63947278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).