tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate

C13H25NO4 — CID 162409268

IUPACtert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)[C@H](CO)C1CCCCC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(16)14(17)11(9-15)10-7-5-4-6-8-10/h10-11,15,17H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyXNHKYWVQAHDMEZ-LLVKDONJSA-N
MW259.35 g/mol
LogP2.55
Rot. Bonds3

About tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate

tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate (PubChem CID 162409268) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate
PubChem CID162409268
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate
SMILESCC(C)(C)OC(=O)N(O)[C@H](CO)C1CCCCC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)18-12(16)14(17)11(9-15)10-7-5-4-6-8-10/h10-11,15,17H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyXNHKYWVQAHDMEZ-LLVKDONJSA-N
XLogP2.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate 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

(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
N-Boc-L-cyclohexylglycinol
CID 16217740
N-Boc-D-cyclohexylglycinol
CID 12194289
Tert-butyl N-(1-cyclohexyl-2-hydroxyethyl)carbamate
CID 22037861
(4R,5R)-5-cyclohexyl-3-hydroxy-4-methyl-1,3-oxazolidin-2-one
CID 122212383
tert-butyl N-hydroxy-N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 162409640
tert-butyl N-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamate
CID 3989114
(R)-2-(Boc-amino)-3-cyclohexylpropan-1-ol
CID 14014843
tert-butyl N-(3-cyclohexyl-2-hydroxypropyl)-N-methylcarbamate
CID 21932703
[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methylheptan-2-yl]-[(2-methylpropan-2-yl)oxy]carbamic acid
CID 53827457
tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylcarbamate
CID 54120232
tert-butyl N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-N-methylcarbamate
CID 54436191

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate (CID 162409268) is tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate is CC(C)(C)OC(=O)N(O)[C@H](CO)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate?
The InChIKey is XNHKYWVQAHDMEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)18-12(16)14(17)11(9-15)10-7-5-4-6-8-10/h10-11,15,17H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate?
tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate has a molecular weight of 259.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-N-hydroxycarbamate is sourced from PubChem (CID 162409268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).