(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid

C7H11N3O4 — CID 10998047

IUPAC(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CC(=O)N(N)C1=O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(7(13)14)1-3-2-5(11)10(9)6(3)12/h3-4H,1-2,8-9H2,(H,13,14)/t3-,4+/m1/s1
InChIKeyKFZIDYRQBYYJLY-DMTCNVIQSA-N
MW201.18 g/mol
LogP-1.96
Rot. Bonds3

About (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid

(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid (PubChem CID 10998047) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
PubChem CID10998047
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CC(=O)N(N)C1=O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(7(13)14)1-3-2-5(11)10(9)6(3)12/h3-4H,1-2,8-9H2,(H,13,14)/t3-,4+/m1/s1
InChIKeyKFZIDYRQBYYJLY-DMTCNVIQSA-N
XLogP-1.96
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoic acid
CID 175266856
(2R)-2-amino-3-(2-methylidenecyclopropyl)propanoic acid
CID 131034115
(2S)-2-amino-3-[(3S)-2,5-dioxopyrrolidin-3-yl]propanoic acid
CID 10330059
(2S)-2-amino-3-(2-cyclopropylidenecyclopropyl)propanoic acid
CID 100928165
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
CID 22247801
(2S)-2-amino-3-[(3S)-3-ethyl-2,5-dioxopyrrolidin-1-yl]sulfanylpropanoic acid
CID 92764623
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789
2-amino-3-(5-methyl-2-oxocyclohexyl)propanoic acid
CID 123873971
2-amino-3-cyclopropylpropanoic acid
CID 519178
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
(2S)-2-amino-3-[(5R)-6-oxo-4,5-dihydro-1H-pyridazin-5-yl]propanoic acid
CID 10943157
(2R)-2-amino-3-(2-methylidenespiro[2.2]pentan-1-yl)propanoic acid
CID 100928166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid (CID 10998047) is (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid is N[C@@H](C[C@@H]1CC(=O)N(N)C1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid?
The InChIKey is KFZIDYRQBYYJLY-DMTCNVIQSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-4(7(13)14)1-3-2-5(11)10(9)6(3)12/h3-4H,1-2,8-9H2,(H,13,14)/t3-,4+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid?
(2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid has a molecular weight of 201.18 g/mol, XLogP of -1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3R)-1-amino-2,5-dioxopyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 10998047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).