tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate

C10H21NO4 — CID 89422751

IUPACtert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](O)CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-6-4-5-8(13)7-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyDXMPZPWHCUFUKJ-QMMMGPOBSA-N
MW219.28 g/mol
LogP0.64
Rot. Bonds5

About tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate

tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate (PubChem CID 89422751) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
PubChem CID89422751
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](O)CO
InChIInChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-6-4-5-8(13)7-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyDXMPZPWHCUFUKJ-QMMMGPOBSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(4S)-4,5-dihydroxypentyl]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

tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583
tert-butyl N-[(4S)-4-hydroxyhexyl]carbamate
CID 101456179
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[6-hydroxy-5-(hydroxymethyl)hexyl]carbamate
CID 142613690
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
(2S)-2-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 167971322
tert-butyl N-[(4S)-4-methyl-5-oxohexyl]carbamate
CID 168910124
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[(4R)-4-hydroxy-6-methylhept-5-enyl]carbamate
CID 46201510
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate (CID 89422751) is tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate is CC(C)(C)OC(=O)NCCC[C@H](O)CO.
What is the InChIKey of tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate?
The InChIKey is DXMPZPWHCUFUKJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-6-4-5-8(13)7-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate?
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate is sourced from PubChem (CID 89422751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).