(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid

C11H13N3O6 — CID 140938903

IUPAC(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)[C@@H](CCC(=O)O)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H13N3O6/c12-11(20)6(1-4-10(18)19)13-7(15)5-14-8(16)2-3-9(14)17/h2-3,6H,1,4-5H2,(H2,12,20)(H,13,15)(H,18,19)/t6-/m1/s1
InChIKeyKDWGLOYQLIYUSD-ZCFIWIBFSA-N
MW283.24 g/mol
LogP-2.25
Rot. Bonds7

About (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid

(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 140938903) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID140938903
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)[C@@H](CCC(=O)O)NC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H13N3O6/c12-11(20)6(1-4-10(18)19)13-7(15)5-14-8(16)2-3-9(14)17/h2-3,6H,1,4-5H2,(H2,12,20)(H,13,15)(H,18,19)/t6-/m1/s1
InChIKeyKDWGLOYQLIYUSD-ZCFIWIBFSA-N
XLogP-2.25
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid (CID 140938903) is (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid is NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is KDWGLOYQLIYUSD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13N3O6/c12-11(20)6(1-4-10(18)19)13-7(15)5-14-8(16)2-3-9(14)17/h2-3,6H,1,4-5H2,(H2,12,20)(H,13,15)(H,18,19)/t6-/m1/s1.
What are the key properties of (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid?
(4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 283.24 g/mol, XLogP of -2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-amino-4-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 140938903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).