tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate

C12H26N2O3 — CID 84705743

IUPACtert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
SMILESCC(C)(C)NCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-11(2,3)14-8-9(15)7-13-10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3,(H,13,16)
InChIKeyPZSGDCGYQPEGDN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.26
Rot. Bonds4

About tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate

tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate (PubChem CID 84705743) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
PubChem CID84705743
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
SMILESCC(C)(C)NCC(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-11(2,3)14-8-9(15)7-13-10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3,(H,13,16)
InChIKeyPZSGDCGYQPEGDN-UHFFFAOYSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate;2-methylprop-2-enoic acid
CID 158486538
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-(2-hydroxy-4-iodobutyl)carbamate
CID 91667088
(2R,5S)-2-azaniumyl-5-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 7408421
tert-butyl N-(2-hydroxyhexyl)carbamate
CID 130004068
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
tert-butyl N-[(2R)-3-cyclopropyl-2-hydroxypropyl]carbamate
CID 167726889
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
tert-butyl N-[3-(4-cyanoanilino)-2-hydroxypropyl]carbamate
CID 67540537
tert-butyl N-[(E,2R)-2-hydroxyhept-4-enyl]carbamate
CID 10489591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate (CID 84705743) is tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate is CC(C)(C)NCC(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate?
The InChIKey is PZSGDCGYQPEGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-11(2,3)14-8-9(15)7-13-10(16)17-12(4,5)6/h9,14-15H,7-8H2,1-6H3,(H,13,16).
What are the key properties of tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate?
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 84705743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).