tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate

C10H22N2O3 — CID 114985484

IUPACtert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
SMILESC[C@H](CO)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(7-13)11-5-6-12-9(14)15-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyWXHBFURBCSKMRD-MRVPVSSYSA-N
MW218.30 g/mol
LogP0.48
Rot. Bonds5

About tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate

tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate (PubChem CID 114985484) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
PubChem CID114985484
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
SMILESC[C@H](CO)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O3/c1-8(7-13)11-5-6-12-9(14)15-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1
InChIKeyWXHBFURBCSKMRD-MRVPVSSYSA-N
XLogP0.48
TPSA70.59 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 ≤ 50.48
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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Related Compounds

tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509
tert-butyl N-[2-(2-methylpentan-3-ylamino)ethyl]carbamate
CID 112688813
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[3-(1-aminopropan-2-ylamino)propyl]carbamate
CID 107241253
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[(3R)-3,4-dihydroxybutyl]carbamate
CID 10330583

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate (CID 114985484) is tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate is C[C@H](CO)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate?
The InChIKey is WXHBFURBCSKMRD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-8(7-13)11-5-6-12-9(14)15-10(2,3)4/h8,11,13H,5-7H2,1-4H3,(H,12,14)/t8-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 114985484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).