tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate

C11H23N3O4 — CID 108864438

IUPACtert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
SMILESCC(O)CNC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O4/c1-8(15)7-14-9(16)12-5-6-13-10(17)18-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,13,17)(H2,12,14,16)
InChIKeyHTOZBWJHFFKSFB-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.19
Rot. Bonds5

About tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate

tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate (PubChem CID 108864438) has the molecular formula C11H23N3O4 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
PubChem CID108864438
Molecular FormulaC11H23N3O4
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nametert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
SMILESCC(O)CNC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23N3O4/c1-8(15)7-14-9(16)12-5-6-13-10(17)18-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,13,17)(H2,12,14,16)
InChIKeyHTOZBWJHFFKSFB-UHFFFAOYSA-N
XLogP0.19
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.19
H-Bond Donors ≤ 54
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-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
CID 139351800
tert-butyl N-[2-(3-methylbutylcarbamoylamino)ethyl]carbamate
CID 108864561
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-[2-(propan-2-ylamino)ethyl]carbamate
CID 16743802
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
1-(2-hydroxypropyl)-3-propylurea
CID 12876542
3-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]butanoic acid
CID 108864378
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-[2-[1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]ethyl]carbamate
CID 131048509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate (CID 108864438) is tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate is CC(O)CNC(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate?
The InChIKey is HTOZBWJHFFKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4/c1-8(15)7-14-9(16)12-5-6-13-10(17)18-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,13,17)(H2,12,14,16).
What are the key properties of tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate?
tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate is sourced from PubChem (CID 108864438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).