tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate

C13H22N2O4 — CID 175496197

IUPACtert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC(=CC1CC1)CO
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10(8-16)6-9-4-5-9/h6,9,16H,4-5,7-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyVRSFNQHLXVXZGR-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.91
Rot. Bonds5

About tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 175496197) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID175496197
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC(=CC1CC1)CO
InChIInChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10(8-16)6-9-4-5-9/h6,9,16H,4-5,7-8H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyVRSFNQHLXVXZGR-UHFFFAOYSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(3-formylcyclopentyl)amino]-2-oxoethyl]carbamate
CID 141436704
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
CID 140814395
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[2-(2,2-dihydroxypropylamino)-2-oxoethyl]carbamate
CID 167104195
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
ethane-1,2-diol;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 175289352
(2R)-3-cyclohexyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
CID 68551431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate (CID 175496197) is tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC(=CC1CC1)CO.
What is the InChIKey of tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is VRSFNQHLXVXZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)19-12(18)14-7-11(17)15-10(8-16)6-9-4-5-9/h6,9,16H,4-5,7-8H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.91, 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-[(1-cyclopropyl-3-hydroxyprop-1-en-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 175496197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).