7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid

C24H31N3O7 — CID 170172095

IUPAC7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2c(ccc3c2OCC32CCN(C(=O)O)CC2)C1=O
InChIInChI=1S/C24H31N3O7/c1-23(2,3)34-18(28)7-6-17(20(25)29)27-12-15-14(21(27)30)4-5-16-19(15)33-13-24(16)8-10-26(11-9-24)22(31)32/h4-5,17H,6-13H2,1-3H3,(H2,25,29)(H,31,32)/t17-/m0/s1
InChIKeyXUBDAKDTECTYJL-KRWDZBQOSA-N
MW473.53 g/mol
LogP2.02
Rot. Bonds5

About 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid

7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 170172095) has the molecular formula C24H31N3O7 and a molecular weight of 473.53 g/mol. Its IUPAC name is 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID170172095
Molecular FormulaC24H31N3O7
Molecular Weight473.53 g/mol
Exact Mass473.22
IUPAC Name7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2c(ccc3c2OCC32CCN(C(=O)O)CC2)C1=O
InChIInChI=1S/C24H31N3O7/c1-23(2,3)34-18(28)7-6-17(20(25)29)27-12-15-14(21(27)30)4-5-16-19(15)33-13-24(16)8-10-26(11-9-24)22(31)32/h4-5,17H,6-13H2,1-3H3,(H2,25,29)(H,31,32)/t17-/m0/s1
InChIKeyXUBDAKDTECTYJL-KRWDZBQOSA-N
XLogP2.02
TPSA139.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid (CID 170172095) is 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid is CC(C)(C)OC(=O)CC[C@@H](C(N)=O)N1Cc2c(ccc3c2OCC32CCN(C(=O)O)CC2)C1=O.
What is the InChIKey of 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is XUBDAKDTECTYJL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N3O7/c1-23(2,3)34-18(28)7-6-17(20(25)29)27-12-15-14(21(27)30)4-5-16-19(15)33-13-24(16)8-10-26(11-9-24)22(31)32/h4-5,17H,6-13H2,1-3H3,(H2,25,29)(H,31,32)/t17-/m0/s1.
What are the key properties of 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid?
7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 473.53 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 170172095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).