tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate

C10H21NO4 — CID 11447316

IUPACtert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)15-8(13)11-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyZCNIHVVSMKRMGN-SSDOTTSWSA-N
MW219.28 g/mol
LogP0.64
Rot. Bonds3

About tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate (PubChem CID 11447316) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate
PubChem CID11447316
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)C(C)(C)O
InChIInChI=1S/C10H21NO4/c1-9(2,3)15-8(13)11-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1
InChIKeyZCNIHVVSMKRMGN-SSDOTTSWSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate 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 tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate (CID 11447316) is tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)C(C)(C)O.
What is the InChIKey of tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate?
The InChIKey is ZCNIHVVSMKRMGN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(2,3)15-8(13)11-7(6-12)10(4,5)14/h7,12,14H,6H2,1-5H3,(H,11,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1,3-dihydroxy-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 11447316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).