tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate

C10H22N2O3 — CID 97184684

IUPACtert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1
InChIKeyVLXYEQXFLYGVFK-QMMMGPOBSA-N
MW218.30 g/mol
LogP0.56
Rot. Bonds4

About tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate

tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate (PubChem CID 97184684) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
PubChem CID97184684
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate
SMILESC[C@H](O)CN(CCN)C(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1
InChIKeyVLXYEQXFLYGVFK-QMMMGPOBSA-N
XLogP0.56
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 91296592
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-(cyanomethyl)-N-[(2S)-2-hydroxypropyl]carbamate
CID 97184665
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-[2-(1,1-difluoropropan-2-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257185
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxetan-3-ylamino)ethyl]carbamate
CID 107257085
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257285
tert-butyl N-(2-hydroxypropyl)-N-[2-[(3-methoxy-2-methylpropyl)amino]ethyl]carbamate
CID 107257320
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate (CID 97184684) is tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate is C[C@H](O)CN(CCN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate?
The InChIKey is VLXYEQXFLYGVFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(13)7-12(6-5-11)9(14)15-10(2,3)4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate?
tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminoethyl)-N-[(2S)-2-hydroxypropyl]carbamate is sourced from PubChem (CID 97184684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).