tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate

C11H19NO3 — CID 75091028

IUPACtert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
SMILESC#CCC(NC(=O)OC(C)(C)C)C(C)O
InChIInChI=1S/C11H19NO3/c1-6-7-9(8(2)13)12-10(14)15-11(3,4)5/h1,8-9,13H,7H2,2-5H3,(H,12,14)
InChIKeyHRNXQBLBLXCLPE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate

tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate (PubChem CID 75091028) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
PubChem CID75091028
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate
SMILESC#CCC(NC(=O)OC(C)(C)C)C(C)O
InChIInChI=1S/C11H19NO3/c1-6-7-9(8(2)13)12-10(14)15-11(3,4)5/h1,8-9,13H,7H2,2-5H3,(H,12,14)
InChIKeyHRNXQBLBLXCLPE-UHFFFAOYSA-N
XLogP1.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-(2-hydroxyhex-5-yn-3-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

Related Compounds

(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545
tert-butyl N-(1,1,1-trifluoro-4-hydroxypentan-3-yl)carbamate
CID 171802376
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
CID 87566513
2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 3513171
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
CID 11831564
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
CID 11141505
tert-butyl N-(3-oxopent-4-yn-2-yl)carbamate
CID 85365205
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate (CID 75091028) is tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate is C#CCC(NC(=O)OC(C)(C)C)C(C)O.
What is the InChIKey of tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate?
The InChIKey is HRNXQBLBLXCLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6-7-9(8(2)13)12-10(14)15-11(3,4)5/h1,8-9,13H,7H2,2-5H3,(H,12,14).
What are the key properties of tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate?
tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxyhex-5-yn-3-yl)carbamate is sourced from PubChem (CID 75091028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).