(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid

C13H20N2O5 — CID 1219934

IUPAC(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(CN1C(=O)CCC1=O)[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-8(2)6-10(13(19)20)14(9(3)16)7-15-11(17)4-5-12(15)18/h8,10H,4-7H2,1-3H3,(H,19,20)/t10-/m1/s1
InChIKeyXTWBPYHSECGONG-SNVBAGLBSA-N
MW284.31 g/mol
LogP0.44
Rot. Bonds6

About (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid

(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid (PubChem CID 1219934) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid
PubChem CID1219934
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid
SMILESCC(=O)N(CN1C(=O)CCC1=O)[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H20N2O5/c1-8(2)6-10(13(19)20)14(9(3)16)7-15-11(17)4-5-12(15)18/h8,10H,4-7H2,1-3H3,(H,19,20)/t10-/m1/s1
InChIKeyXTWBPYHSECGONG-SNVBAGLBSA-N
XLogP0.44
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid (CID 1219934) is (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid is CC(=O)N(CN1C(=O)CCC1=O)[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid?
The InChIKey is XTWBPYHSECGONG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-8(2)6-10(13(19)20)14(9(3)16)7-15-11(17)4-5-12(15)18/h8,10H,4-7H2,1-3H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid?
(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid has a molecular weight of 284.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 1219934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).