tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate

C9H19NO4 — CID 10330583

IUPACtert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H](O)CO
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-5-4-7(12)6-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m1/s1
InChIKeyREMUTXDSTVMYQR-SSDOTTSWSA-N
MW205.25 g/mol
LogP0.25
Rot. Bonds4

About tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate

tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate (PubChem CID 10330583) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
PubChem CID10330583
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@@H](O)CO
InChIInChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-5-4-7(12)6-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m1/s1
InChIKeyREMUTXDSTVMYQR-SSDOTTSWSA-N
XLogP0.25
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-(8-amino-3,6-dihydroxyoctyl)carbamate
CID 174908055
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
tert-butyl N-(3-methoxybutyl)carbamate
CID 126989537
tert-butyl N-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]carbamate
CID 142165628
tert-butyl N-[(4S)-5-amino-3-hydroxy-4-methylpentyl]carbamate
CID 175626004
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
tert-butyl N-[3-ethyl-5-(methylamino)pentyl]carbamate
CID 89229854

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate (CID 10330583) is tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate is CC(C)(C)OC(=O)NCC[C@@H](O)CO.
What is the InChIKey of tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate?
The InChIKey is REMUTXDSTVMYQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO4/c1-9(2,3)14-8(13)10-5-4-7(12)6-11/h7,11-12H,4-6H2,1-3H3,(H,10,13)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate?
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate has a molecular weight of 205.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 10330583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).