(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol

C8H17NO — CID 86674766

IUPAC(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
SMILESCC(C)(O)[C@@H](N)CC1CC1
InChIInChI=1S/C8H17NO/c1-8(2,10)7(9)5-6-3-4-6/h6-7,10H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyMNDMTCXVZNDLCT-ZETCQYMHSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds3

About (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol

(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol (PubChem CID 86674766) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
PubChem CID86674766
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
SMILESCC(C)(O)[C@@H](N)CC1CC1
InChIInChI=1S/C8H17NO/c1-8(2,10)7(9)5-6-3-4-6/h6-7,10H,3-5,9H2,1-2H3/t7-/m0/s1
InChIKeyMNDMTCXVZNDLCT-ZETCQYMHSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-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 (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol?
The IUPAC name of (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol (CID 86674766) is (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol.
What is the SMILES notation for (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol?
The canonical SMILES for (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol is CC(C)(O)[C@@H](N)CC1CC1.
What is the InChIKey of (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol?
The InChIKey is MNDMTCXVZNDLCT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2,10)7(9)5-6-3-4-6/h6-7,10H,3-5,9H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol?
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol is sourced from PubChem (CID 86674766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).