tert-butyl N-(4-amino-2-hydroxybutyl)carbamate

C9H20N2O3 — CID 45092024

IUPACtert-butyl N-(4-amino-2-hydroxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCN
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyGJAHMDCXXHDWSC-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.22
Rot. Bonds4

About tert-butyl N-(4-amino-2-hydroxybutyl)carbamate

tert-butyl N-(4-amino-2-hydroxybutyl)carbamate (PubChem CID 45092024) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl N-(4-amino-2-hydroxybutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-2-hydroxybutyl)carbamate
PubChem CID45092024
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Nametert-butyl N-(4-amino-2-hydroxybutyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CCN
InChIInChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyGJAHMDCXXHDWSC-UHFFFAOYSA-N
XLogP0.22
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-2-hydroxybutyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-2-hydroxybutyl)carbamate (CID 45092024) is tert-butyl N-(4-amino-2-hydroxybutyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-2-hydroxybutyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-2-hydroxybutyl)carbamate is CC(C)(C)OC(=O)NCC(O)CCN.
What is the InChIKey of tert-butyl N-(4-amino-2-hydroxybutyl)carbamate?
The InChIKey is GJAHMDCXXHDWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-6-7(12)4-5-10/h7,12H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(4-amino-2-hydroxybutyl)carbamate?
tert-butyl N-(4-amino-2-hydroxybutyl)carbamate has a molecular weight of 204.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-2-hydroxybutyl)carbamate is sourced from PubChem (CID 45092024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).