tert-butyl N-(3-amino-2-hydroxypropyl)carbamate

C8H18N2O3 — CID 10511887

IUPACtert-butyl N-(3-amino-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CN
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyLZNOKWJGNPKUSE-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.17
Rot. Bonds3

About tert-butyl N-(3-amino-2-hydroxypropyl)carbamate

tert-butyl N-(3-amino-2-hydroxypropyl)carbamate (PubChem CID 10511887) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-hydroxypropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-hydroxypropyl)carbamate
PubChem CID10511887
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Nametert-butyl N-(3-amino-2-hydroxypropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(O)CN
InChIInChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,10,12)
InChIKeyLZNOKWJGNPKUSE-UHFFFAOYSA-N
XLogP-0.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-hydroxypropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-hydroxypropyl)carbamate (CID 10511887) is tert-butyl N-(3-amino-2-hydroxypropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-hydroxypropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-hydroxypropyl)carbamate is CC(C)(C)OC(=O)NCC(O)CN.
What is the InChIKey of tert-butyl N-(3-amino-2-hydroxypropyl)carbamate?
The InChIKey is LZNOKWJGNPKUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,3)13-7(12)10-5-6(11)4-9/h6,11H,4-5,9H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(3-amino-2-hydroxypropyl)carbamate?
tert-butyl N-(3-amino-2-hydroxypropyl)carbamate has a molecular weight of 190.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-hydroxypropyl)carbamate is sourced from PubChem (CID 10511887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).