propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate

C13H26N2O5 — CID 102043449

IUPACpropan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(C(=O)OC(C)C)[C@H](CO)C(C)C
InChIInChI=1S/C13H26N2O5/c1-8(2)11(7-16)15(13(18)20-10(5)6)14-12(17)19-9(3)4/h8-11,16H,7H2,1-6H3,(H,14,17)/t11-/m1/s1
InChIKeyGDSVHGDVUGCDKZ-LLVKDONJSA-N
MW290.36 g/mol
LogP1.90
Rot. Bonds5

About propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate

propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 102043449) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID102043449
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Namepropan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(C(=O)OC(C)C)[C@H](CO)C(C)C
InChIInChI=1S/C13H26N2O5/c1-8(2)11(7-16)15(13(18)20-10(5)6)14-12(17)19-9(3)4/h8-11,16H,7H2,1-6H3,(H,14,17)/t11-/m1/s1
InChIKeyGDSVHGDVUGCDKZ-LLVKDONJSA-N
XLogP1.90
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate
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propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
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propan-2-yl N,N-difluorocarbamate
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propan-2-yl N-[(E)-3-(2-methylpropylamino)-1-oxo-1-(propan-2-ylamino)but-2-en-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate
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propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate
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(2R)-2-(dimethylamino)-3-methylbutan-1-ol
CID 93492101
propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate
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propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate (CID 102043449) is propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate is CC(C)OC(=O)NN(C(=O)OC(C)C)[C@H](CO)C(C)C.
What is the InChIKey of propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is GDSVHGDVUGCDKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-8(2)11(7-16)15(13(18)20-10(5)6)14-12(17)19-9(3)4/h8-11,16H,7H2,1-6H3,(H,14,17)/t11-/m1/s1.
What are the key properties of propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 290.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 102043449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).