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

C5H13NO — CID 640993

IUPAC(2S)-2-amino-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)CO
InChIInChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyNWYYWIJOWOLJNR-RXMQYKEDSA-N
MW103.17 g/mol
LogP-0.04
Rot. Bonds2

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

(2S)-2-amino-3-methylbutan-1-ol (PubChem CID 640993) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutan-1-ol
PubChem CID640993
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name(2S)-2-amino-3-methylbutan-1-ol
SMILESCC(C)[C@H](N)CO
InChIInChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChIKeyNWYYWIJOWOLJNR-RXMQYKEDSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-amino-3-methylbutan-1-ol (CID 640993) is (2S)-2-amino-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-amino-3-methylbutan-1-ol is CC(C)[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-3-methylbutan-1-ol?
The InChIKey is NWYYWIJOWOLJNR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1.
What are the key properties of (2S)-2-amino-3-methylbutan-1-ol?
(2S)-2-amino-3-methylbutan-1-ol has a molecular weight of 103.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutan-1-ol is sourced from PubChem (CID 640993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).