2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid

C12H16N2O5 — CID 114391557

IUPAC2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid
SMILESCC1CC2C(=O)N(CC(=O)NCC(=O)O)C(=O)C2C1
InChIInChI=1S/C12H16N2O5/c1-6-2-7-8(3-6)12(19)14(11(7)18)5-9(15)13-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyRMXAGVJQXMYYPX-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.78
Rot. Bonds4

About 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid

2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid (PubChem CID 114391557) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid
PubChem CID114391557
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid
SMILESCC1CC2C(=O)N(CC(=O)NCC(=O)O)C(=O)C2C1
InChIInChI=1S/C12H16N2O5/c1-6-2-7-8(3-6)12(19)14(11(7)18)5-9(15)13-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyRMXAGVJQXMYYPX-UHFFFAOYSA-N
XLogP-0.78
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

2-fluoro-2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
CID 114512703
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-fluoroacetic acid
CID 114512862
(3aR,6aS)-2-(2-aminoethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 139516839
2-[[2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]amino]acetic acid
CID 43424660
2-[[2-[[2-(Aminomethyl)cyclopentanecarbonyl]amino]acetyl]amino]acetic acid
CID 65894764
2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetic acid
CID 102892056
2-[1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonyl(methyl)amino]acetic acid
CID 102892068
2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonylamino)-3-methylbutanoic acid
CID 102892105
2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonylamino)propanoic acid
CID 102892111
2-[[2-(1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonylamino)acetyl]amino]acetic acid
CID 102892169
2-[1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropylmethyl)amino]acetic acid
CID 102892181
2-[1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 102892185

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid (CID 114391557) is 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid is CC1CC2C(=O)N(CC(=O)NCC(=O)O)C(=O)C2C1.
What is the InChIKey of 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid?
The InChIKey is RMXAGVJQXMYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-6-2-7-8(3-6)12(19)14(11(7)18)5-9(15)13-4-10(16)17/h6-8H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid?
2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid has a molecular weight of 268.27 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 114391557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).