tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate

C10H22N2O3 — CID 57440196

IUPACtert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](N)CO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-8(11)7-13/h8,13H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyYFDWGXVZFIAABK-QMMMGPOBSA-N
MW218.30 g/mol
LogP0.61
Rot. Bonds5

About tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate

tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate (PubChem CID 57440196) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate
PubChem CID57440196
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@H](N)CO
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-8(11)7-13/h8,13H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1
InChIKeyYFDWGXVZFIAABK-QMMMGPOBSA-N
XLogP0.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate?
The IUPAC name of tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate (CID 57440196) is tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate is CC(C)(C)OC(=O)NCCC[C@H](N)CO.
What is the InChIKey of tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate?
The InChIKey is YFDWGXVZFIAABK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(14)12-6-4-5-8(11)7-13/h8,13H,4-7,11H2,1-3H3,(H,12,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate?
tert-butyl N-[(4S)-4-amino-5-hydroxypentyl]carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.61, 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-amino-5-hydroxypentyl]carbamate is sourced from PubChem (CID 57440196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).