(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid

C7H7NO4 — CID 1088479

IUPAC(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4H,1H3,(H,11,12)/t4-/m1/s1
InChIKeyMDNSLPICAWKNAG-SCSAIBSYSA-N
MW169.14 g/mol
LogP-0.62
Rot. Bonds2

About (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid

(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid (PubChem CID 1088479) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid
PubChem CID1088479
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid
SMILESC[C@H](C(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4H,1H3,(H,11,12)/t4-/m1/s1
InChIKeyMDNSLPICAWKNAG-SCSAIBSYSA-N
XLogP-0.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CID 319935
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-3-methylbutanoic acid
CID 16782869
2-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CID 22403517
2-(2,5-Dioxopyrrol-1-yl)propanoic acid
CID 319936
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)pent-4-ynoic acid
CID 81768672
N-fumaryl-l-alanine
CID 1088478
N-maleoyl-l-valine
CID 11651318
N-acryloyl-N-methyl-l-alanine
CID 15705249
Maleimidobutyric acid
CID 22630718
N-(1-carboxypropyl)-(5h)-pyrrol-5-one
CID 129882545
Carboxymethyl-3-pyrrolin-2-one
CID 168011320
2-(2,5-Dioxopyrrol-1-yl)acetate
CID 6990704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid (CID 1088479) is (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid is C[C@H](C(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid?
The InChIKey is MDNSLPICAWKNAG-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h2-4H,1H3,(H,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid?
(2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid has a molecular weight of 169.14 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dioxopyrrol-1-yl)propanoic acid is sourced from PubChem (CID 1088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).