(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol

C9H22N2O2 — CID 89037903

IUPAC(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)C(O)N[C@@H](C)C(C)O
InChIInChI=1S/C9H22N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-9,11-13H,10H2,1-4H3/t6-,7?,8+,9?/m0/s1
InChIKeyQHFXZAYFNQMTFO-YRXIUSAGSA-N
MW190.29 g/mol
LogP-0.35
Rot. Bonds5

About (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol

(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 89037903) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol
PubChem CID89037903
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](N)C(O)N[C@@H](C)C(C)O
InChIInChI=1S/C9H22N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-9,11-13H,10H2,1-4H3/t6-,7?,8+,9?/m0/s1
InChIKeyQHFXZAYFNQMTFO-YRXIUSAGSA-N
XLogP-0.35
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol (CID 89037903) is (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](N)C(O)N[C@@H](C)C(C)O.
What is the InChIKey of (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is QHFXZAYFNQMTFO-YRXIUSAGSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-5(2)8(10)9(13)11-6(3)7(4)12/h5-9,11-13H,10H2,1-4H3/t6-,7?,8+,9?/m0/s1.
What are the key properties of (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol?
(2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 190.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[[(2S)-3-hydroxybutan-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 89037903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).