tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate

C11H22N2O4 — CID 139351800

IUPACtert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
SMILESC[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1
InChIKeyOHJWSPVQSFALCK-MRVPVSSYSA-N
MW246.31 g/mol
LogP0.40
Rot. Bonds5

About tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate (PubChem CID 139351800) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
PubChem CID139351800
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nametert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate
SMILESC[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1
InChIKeyOHJWSPVQSFALCK-MRVPVSSYSA-N
XLogP0.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
CID 108864438
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 173365471
tert-butyl N-[3-[2-(2,2-dimethylpropanoylamino)ethylamino]-3-oxopropyl]carbamate
CID 108537243
tert-butyl N-[3-[3-[4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propylamino]butylamino]propylamino]-3-oxopropyl]carbamate
CID 10875262
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-[4-methyl-3,3-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pentyl]carbamate
CID 155196466
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[3-oxo-3-(1,2,2-trifluoroethylamino)propyl]carbamate
CID 175576585
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate (CID 139351800) is tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate is C[C@@H](O)CNC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?
The InChIKey is OHJWSPVQSFALCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(14)7-13-9(15)5-6-12-10(16)17-11(2,3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate has a molecular weight of 246.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(2R)-2-hydroxypropyl]amino]-3-oxopropyl]carbamate is sourced from PubChem (CID 139351800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).