5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid

C17H27N3O8 — CID 160877136

IUPAC5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C17H27N3O8/c1-17(2,3)28-16(27)20-10-14(24)19-9-11(21)4-6-13(23)18-8-12(22)5-7-15(25)26/h4-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,27)(H,25,26)
InChIKeyZGEOJOVWVSOYNP-UHFFFAOYSA-N
MW401.42 g/mol
LogP-0.47
Rot. Bonds12

About 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid

5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid (PubChem CID 160877136) has the molecular formula C17H27N3O8 and a molecular weight of 401.42 g/mol. Its IUPAC name is 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
PubChem CID160877136
Molecular FormulaC17H27N3O8
Molecular Weight401.42 g/mol
Exact Mass401.18
IUPAC Name5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)CCC(=O)NCC(=O)CCC(=O)O
InChIInChI=1S/C17H27N3O8/c1-17(2,3)28-16(27)20-10-14(24)19-9-11(21)4-6-13(23)18-8-12(22)5-7-15(25)26/h4-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,27)(H,25,26)
InChIKeyZGEOJOVWVSOYNP-UHFFFAOYSA-N
XLogP-0.47
TPSA167.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid with MolForge

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Related Compounds

5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 167337700
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 134287797
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
CID 163453905
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
tert-butyl N-[2-(methylaminomethylamino)-2-oxoethyl]carbamate
CID 134487192

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?
The IUPAC name of 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid (CID 160877136) is 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid.
What is the SMILES notation for 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?
The canonical SMILES for 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid is CC(C)(C)OC(=O)NCC(=O)NCC(=O)CCC(=O)NCC(=O)CCC(=O)O.
What is the InChIKey of 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?
The InChIKey is ZGEOJOVWVSOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O8/c1-17(2,3)28-16(27)20-10-14(24)19-9-11(21)4-6-13(23)18-8-12(22)5-7-15(25)26/h4-10H2,1-3H3,(H,18,23)(H,19,24)(H,20,27)(H,25,26).
What are the key properties of 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid?
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid has a molecular weight of 401.42 g/mol, XLogP of -0.47, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 160877136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).