(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid

C9H10N2O6 — CID 10399458

IUPAC(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid
SMILESN[C@@H](CC1=CC(=O)N(CC(=O)O)C1=O)C(=O)O
InChIInChI=1S/C9H10N2O6/c10-5(9(16)17)1-4-2-6(12)11(8(4)15)3-7(13)14/h2,5H,1,3,10H2,(H,13,14)(H,16,17)/t5-/m0/s1
InChIKeyWPWZWMYCNMSCJL-YFKPBYRVSA-N
MW242.19 g/mol
LogP-1.83
Rot. Bonds5

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

(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid (PubChem CID 10399458) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid
PubChem CID10399458
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid
SMILESN[C@@H](CC1=CC(=O)N(CC(=O)O)C1=O)C(=O)O
InChIInChI=1S/C9H10N2O6/c10-5(9(16)17)1-4-2-6(12)11(8(4)15)3-7(13)14/h2,5H,1,3,10H2,(H,13,14)(H,16,17)/t5-/m0/s1
InChIKeyWPWZWMYCNMSCJL-YFKPBYRVSA-N
XLogP-1.83
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-1.83
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 (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid (CID 10399458) is (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid is N[C@@H](CC1=CC(=O)N(CC(=O)O)C1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid?
The InChIKey is WPWZWMYCNMSCJL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10N2O6/c10-5(9(16)17)1-4-2-6(12)11(8(4)15)3-7(13)14/h2,5H,1,3,10H2,(H,13,14)(H,16,17)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid?
(2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid has a molecular weight of 242.19 g/mol, XLogP of -1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[1-(carboxymethyl)-2,5-dioxopyrrol-3-yl]propanoic acid is sourced from PubChem (CID 10399458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).