(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate

C14H21N3O6 — CID 170024756

IUPAC(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
SMILESCC(C)[C@@H](NC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(N)=O
InChIInChI=1S/C14H21N3O6/c1-8(2)13(14(15)22)16-9(18)4-3-5-12(21)23-17-10(19)6-7-11(17)20/h8,13H,3-7H2,1-2H3,(H2,15,22)(H,16,18)/t13-/m1/s1
InChIKeyFIUNTMZMQHBRCR-CYBMUJFWSA-N
MW327.34 g/mol
LogP-0.61
Rot. Bonds8

About (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate

(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate (PubChem CID 170024756) has the molecular formula C14H21N3O6 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
PubChem CID170024756
Molecular FormulaC14H21N3O6
Molecular Weight327.34 g/mol
Exact Mass327.14
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
SMILESCC(C)[C@@H](NC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(N)=O
InChIInChI=1S/C14H21N3O6/c1-8(2)13(14(15)22)16-9(18)4-3-5-12(21)23-17-10(19)6-7-11(17)20/h8,13H,3-7H2,1-2H3,(H2,15,22)(H,16,18)/t13-/m1/s1
InChIKeyFIUNTMZMQHBRCR-CYBMUJFWSA-N
XLogP-0.61
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxopropan-2-yl]amino]-6-oxohexanoate
CID 129055813
(2,5-dioxopyrrolidin-1-yl) 5-[[(2S)-1,2-diamino-1-oxohexan-3-yl]amino]-5-oxopentanoate
CID 88919145
methyl (2S,3S)-2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]-3-methylpentanoate
CID 88773797
(2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-6-oxohexanoate
CID 142732287
(2,5-dioxopyrrolidin-1-yl) 5-[1-[[3-[[(5S)-6-amino-6-oxo-5-(2-oxopropylamino)hexyl]amino]-2-oxobutyl]amino]ethylamino]-5-oxopentanoate
CID 58858897
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
(2,5-dioxopyrrolidin-1-yl) 8-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-8-oxooctanoate
CID 89032054
bis(2,5-dioxopyrrolidin-1-yl) (2S)-2-(hexadecanoylamino)pentanedioate
CID 174768500
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[2-(hydroxyamino)-2-oxoethyl] pentanedioate
CID 87746773

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate (CID 170024756) is (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate is CC(C)[C@@H](NC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(N)=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate?
The InChIKey is FIUNTMZMQHBRCR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O6/c1-8(2)13(14(15)22)16-9(18)4-3-5-12(21)23-17-10(19)6-7-11(17)20/h8,13H,3-7H2,1-2H3,(H2,15,22)(H,16,18)/t13-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate?
(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate has a molecular weight of 327.34 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 170024756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).