5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid

C24H32N4O6 — CID 146173276

IUPAC5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C2(CC2)N(C(CCC(N)=O)C(=O)O)C3=O)CC1
InChIInChI=1S/C24H32N4O6/c1-23(2,3)34-22(33)27-12-10-26(11-13-27)15-4-5-16-17(14-15)24(8-9-24)28(20(16)30)18(21(31)32)6-7-19(25)29/h4-5,14,18H,6-13H2,1-3H3,(H2,25,29)(H,31,32)
InChIKeyHSOWJABSHYYLDI-UHFFFAOYSA-N
MW472.54 g/mol
LogP1.91
Rot. Bonds6

About 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid

5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid (PubChem CID 146173276) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid
PubChem CID146173276
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC Name5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C2(CC2)N(C(CCC(N)=O)C(=O)O)C3=O)CC1
InChIInChI=1S/C24H32N4O6/c1-23(2,3)34-22(33)27-12-10-26(11-13-27)15-4-5-16-17(14-15)24(8-9-24)28(20(16)30)18(21(31)32)6-7-19(25)29/h4-5,14,18H,6-13H2,1-3H3,(H2,25,29)(H,31,32)
InChIKeyHSOWJABSHYYLDI-UHFFFAOYSA-N
XLogP1.91
TPSA133.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid with MolForge

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Related Compounds

tert-butyl 4-[2-[1-amino-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]piperazine-1-carboxylate
CID 134562547
tert-butyl 4-(10-oxo-7-piperidin-1-yl-9H-anthracen-2-yl)piperazine-1-carboxylate
CID 169302275
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
tert-butyl 4-(3,4-diaminophenyl)-1,4-diazepane-1-carboxylate
CID 22272464
tert-butyl 4-[3-bromo-4-(1-hydroxyethenyl)phenyl]piperazine-1-carboxylate
CID 142407629
tert-butyl 4-(3-pyrrolidin-1-ylphenyl)-1,4-diazepane-1-carboxylate
CID 163229877
5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-2-(oxidoamino)benzoic acid
CID 143958593
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate;ethane
CID 156798550
tert-butyl 4-(4-methylsulfanylphenyl)piperazine-1-carboxylate;carbamic acid
CID 69249355
2-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]acetic acid
CID 155669790
tert-butyl 4-[3-amino-4-(aminomethyl)phenyl]piperazine-1-carboxylate
CID 131732196

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid (CID 146173276) is 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid is CC(C)(C)OC(=O)N1CCN(c2ccc3c(c2)C2(CC2)N(C(CCC(N)=O)C(=O)O)C3=O)CC1.
What is the InChIKey of 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid?
The InChIKey is HSOWJABSHYYLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-23(2,3)34-22(33)27-12-10-26(11-13-27)15-4-5-16-17(14-15)24(8-9-24)28(20(16)30)18(21(31)32)6-7-19(25)29/h4-5,14,18H,6-13H2,1-3H3,(H2,25,29)(H,31,32).
What are the key properties of 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid?
5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid has a molecular weight of 472.54 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[6'-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3'-oxospiro[cyclopropane-1,1'-isoindole]-2'-yl]-5-oxopentanoic acid is sourced from PubChem (CID 146173276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).