5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid

C11H16N2O4 — CID 64766554

IUPAC5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C11H16N2O4/c12-9(14)6-5-8(11(16)17)13-10(15)7-3-1-2-4-7/h1-2,7-8H,3-6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyIXHWKRHTZOBFIP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.21
Rot. Bonds6

About 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid

5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid (PubChem CID 64766554) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
PubChem CID64766554
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CC=CC1)C(=O)O
InChIInChI=1S/C11H16N2O4/c12-9(14)6-5-8(11(16)17)13-10(15)7-3-1-2-4-7/h1-2,7-8H,3-6H2,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyIXHWKRHTZOBFIP-UHFFFAOYSA-N
XLogP-0.21
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
(2S)-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-amino-5-oxopentanoic acid
CID 61144342
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107831204
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672
(2R)-5-amino-2-[(2-aminocyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 107830206
(2S)-5-amino-2-[(2-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
CID 107175319
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2S)-5-amino-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]-5-oxopentanoic acid
CID 98541910

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid (CID 64766554) is 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid is NC(=O)CCC(NC(=O)C1CC=CC1)C(=O)O.
What is the InChIKey of 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid?
The InChIKey is IXHWKRHTZOBFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-9(14)6-5-8(11(16)17)13-10(15)7-3-1-2-4-7/h1-2,7-8H,3-6H2,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid?
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 64766554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).