2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione

C18H24N2O6 — CID 177146096

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)NCC(=O)O.CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO2.C7H13NO4/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2,3)12-6(11)8-4-5(9)10/h3-6H,2,7H2,1H3;4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyYPPAHQLEFUHARH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.29
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione

2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione (PubChem CID 177146096) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione
PubChem CID177146096
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione
SMILESCC(C)(C)OC(=O)NCC(=O)O.CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H11NO2.C7H13NO4/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2,3)12-6(11)8-4-5(9)10/h3-6H,2,7H2,1H3;4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyYPPAHQLEFUHARH-UHFFFAOYSA-N
XLogP2.29
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]carbamate
CID 141299270
tert-butyl N-[2-[4-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917582
hydron;2-propylisoindole-1,3-dione
CID 174827386
tert-butyl N-[3-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920274
tert-butyl N-[2-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543113
tert-butyl N-[3-(1,3-dioxoisoindol-2-yl)-2-(methoxycarbonylamino)propyl]carbamate
CID 170234733
tert-butyl N-[2-[[3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918374
tert-butyl 3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]propanoate
CID 139517006
tert-butyl N-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyrrolidin-2-yl]methyl]carbamate
CID 162419836
tert-butyl N-[2-[[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917974
tert-butyl N-[2-(1,3-dioxoisoindol-2-yl)sulfanylethyl]carbamate
CID 91757236
tert-butyl N-[[(3S)-1-[4-(1,3-dioxoisoindol-2-yl)butyl]pyrrolidin-3-yl]methyl]carbamate
CID 54209894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione (CID 177146096) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione is CC(C)(C)OC(=O)NCC(=O)O.CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione?
The InChIKey is YPPAHQLEFUHARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C7H13NO4/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2,3)12-6(11)8-4-5(9)10/h3-6H,2,7H2,1H3;4H2,1-3H3,(H,8,11)(H,9,10).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione?
2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione has a molecular weight of 364.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-propylisoindole-1,3-dione is sourced from PubChem (CID 177146096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).