(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol

C10H23NO2 — CID 59043033

IUPAC(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol
SMILESCC(C)N(C(C)C)[C@H](CO)[C@@H](C)O
InChIInChI=1S/C10H23NO2/c1-7(2)11(8(3)4)10(6-12)9(5)13/h7-10,12-13H,6H2,1-5H3/t9-,10-/m1/s1
InChIKeyFFDVTCNXVFQNNF-NXEZZACHSA-N
MW189.30 g/mol
LogP0.85
Rot. Bonds5

About (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol

(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol (PubChem CID 59043033) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol.

Molecular Properties

Compound Name(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol
PubChem CID59043033
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol
SMILESCC(C)N(C(C)C)[C@H](CO)[C@@H](C)O
InChIInChI=1S/C10H23NO2/c1-7(2)11(8(3)4)10(6-12)9(5)13/h7-10,12-13H,6H2,1-5H3/t9-,10-/m1/s1
InChIKeyFFDVTCNXVFQNNF-NXEZZACHSA-N
XLogP0.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol?
The IUPAC name of (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol (CID 59043033) is (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol.
What is the SMILES notation for (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol?
The canonical SMILES for (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol is CC(C)N(C(C)C)[C@H](CO)[C@@H](C)O.
What is the InChIKey of (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol?
The InChIKey is FFDVTCNXVFQNNF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H23NO2/c1-7(2)11(8(3)4)10(6-12)9(5)13/h7-10,12-13H,6H2,1-5H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol?
(2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol has a molecular weight of 189.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[di(propan-2-yl)amino]butane-1,3-diol is sourced from PubChem (CID 59043033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).