(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol

C10H26N2O2 — CID 87115699

IUPAC(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N.CC(C)C(CO)N
InChIInChI=1S/2C5H13NO/c2*1-4(2)5(6)3-7/h2*4-5,7H,3,6H2,1-2H3/t5-;/m1./s1
InChIKeySUZZEFBECOIRIY-NUBCRITNSA-N
MW206.33 g/mol
LogP—
Rot. Bonds4

About (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol

(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol (PubChem CID 87115699) has the molecular formula C10H26N2O2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
PubChem CID87115699
Molecular FormulaC10H26N2O2
Molecular Weight206.33 g/mol
Exact Mass206.20
IUPAC Name(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)N.CC(C)C(CO)N
InChIInChI=1S/2C5H13NO/c2*1-4(2)5(6)3-7/h2*4-5,7H,3,6H2,1-2H3/t5-;/m1./s1
InChIKeySUZZEFBECOIRIY-NUBCRITNSA-N
XLogP—
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity45

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol (CID 87115699) is (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol is CC(C)[C@@H](CO)N.CC(C)C(CO)N.
What is the InChIKey of (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol?
The InChIKey is SUZZEFBECOIRIY-NUBCRITNSA-N. The full InChI is InChI=1S/2C5H13NO/c2*1-4(2)5(6)3-7/h2*4-5,7H,3,6H2,1-2H3/t5-;/m1./s1.
What are the key properties of (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol?
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol has a molecular weight of 206.33 g/mol, XLogP of not available, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol is sourced from PubChem (CID 87115699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).