(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol

C10H21NO2 — CID 139322242

IUPAC(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol
SMILESCCC(C)[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C10H21NO2/c1-4-6(2)9-5-8(11)10(12)7(3)13-9/h6-10,12H,4-5,11H2,1-3H3/t6?,7-,8-,9+,10+/m0/s1
InChIKeyMQRBKWOVYKFACL-XNMJNOLGSA-N
MW187.28 g/mol
LogP0.90
Rot. Bonds2

About (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol

(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol (PubChem CID 139322242) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol
PubChem CID139322242
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol
SMILESCCC(C)[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
InChIInChI=1S/C10H21NO2/c1-4-6(2)9-5-8(11)10(12)7(3)13-9/h6-10,12H,4-5,11H2,1-3H3/t6?,7-,8-,9+,10+/m0/s1
InChIKeyMQRBKWOVYKFACL-XNMJNOLGSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-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,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol?
The IUPAC name of (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol (CID 139322242) is (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol?
The canonical SMILES for (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol is CCC(C)[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol?
The InChIKey is MQRBKWOVYKFACL-XNMJNOLGSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6(2)9-5-8(11)10(12)7(3)13-9/h6-10,12H,4-5,11H2,1-3H3/t6?,7-,8-,9+,10+/m0/s1.
What are the key properties of (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol?
(2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,6R)-4-amino-6-butan-2-yl-2-methyloxan-3-ol is sourced from PubChem (CID 139322242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).