(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid

C8H10N2O4 — CID 131866140

IUPAC(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESN[C@H](CCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)3-4-10-6(11)1-2-7(10)12/h1-2,5H,3-4,9H2,(H,13,14)/t5-/m1/s1
InChIKeyOUYANKKVVJFOQI-RXMQYKEDSA-N
MW198.18 g/mol
LogP-1.29
Rot. Bonds4

About (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid

(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid (PubChem CID 131866140) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
PubChem CID131866140
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid
SMILESN[C@H](CCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C8H10N2O4/c9-5(8(13)14)3-4-10-6(11)1-2-7(10)12/h1-2,5H,3-4,9H2,(H,13,14)/t5-/m1/s1
InChIKeyOUYANKKVVJFOQI-RXMQYKEDSA-N
XLogP-1.29
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
CID 10513406
5-(2,5-dioxopyrrol-1-yl)-2-[3-(2,5-dioxopyrrol-1-yl)propyl]pentanoic acid
CID 22078143
(4S)-4,8-diamino-2-[4-(2,5-dioxopyrrol-1-yl)butyl]-3-oxooctanoic acid
CID 66662829
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
2-(aminomethyl)-5-(2,5-dioxopyrrol-1-yl)-3-oxopentanoic acid
CID 140634868
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-pyrrol-1-ylbutanoic acid
CID 18685850
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
CID 53462120
2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]propanoic acid
CID 175693527
1-[4-[[(4S)-4-amino-5-oxohexyl]amino]-3-oxobutyl]pyrrole-2,5-dione
CID 121290189
(2R)-2-[[(2R)-2-amino-5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-5-oxopentanoyl]amino]pentanedioic acid
CID 137489718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid (CID 131866140) is (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid is N[C@H](CCN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
The InChIKey is OUYANKKVVJFOQI-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-5(8(13)14)3-4-10-6(11)1-2-7(10)12/h1-2,5H,3-4,9H2,(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid?
(2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(2,5-dioxopyrrol-1-yl)butanoic acid is sourced from PubChem (CID 131866140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).