(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid

C7H10N2O4 — CID 10330059

IUPAC(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@H]1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c8-4(7(12)13)1-3-2-5(10)9-6(3)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4-/m0/s1
InChIKeyROFOPAWWDHWBJO-IMJSIDKUSA-N
MW186.17 g/mol
LogP-1.55
Rot. Bonds3

About (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid

(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid (PubChem CID 10330059) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
PubChem CID10330059
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@H]1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C7H10N2O4/c8-4(7(12)13)1-3-2-5(10)9-6(3)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4-/m0/s1
InChIKeyROFOPAWWDHWBJO-IMJSIDKUSA-N
XLogP-1.55
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 118343597
2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
CID 100928165
(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
CID 10943157
(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10998047
3-(3-aminoprop-2-enyl)pyrrolidine-2,5-dione
CID 69036188
(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
CID 100928166
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
2-amino-3-(aziridin-2-yl)propanoic acid
CID 76553046

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid (CID 10330059) is (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid is N[C@@H](C[C@H]1CC(=O)NC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The InChIKey is ROFOPAWWDHWBJO-IMJSIDKUSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-4(7(12)13)1-3-2-5(10)9-6(3)11/h3-4H,1-2,8H2,(H,12,13)(H,9,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid?
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 10330059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).